N-[2-chloranyl-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-2-[[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]-(propan-2-ylcarbamoyl)amino]-3-oxidanylidene-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[2-chloranyl-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-2-[[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]-(propan-2-ylcarbamoyl)amino]-3-oxidanylidene-2-pyrazol-1-yl-propanamide Openeye Name: N-[2-chloro-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-N-(isopropylcarbamoyl)-2-methyl-anilino]-3-indolin-1-yl-3-oxo-2-pyrazol-1-yl-propanamide CAS Name: N-[2-chloro-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-N-[oxo-(propan-2-ylamino)methyl]anilino]-3-oxo-2-(1-pyrazolyl)propanamide IUPAC Name: N-[2-chloro-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-3-(2,3-dihydroindol-1-yl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-N-(propan-2-ylcarbamoyl)anilino]-3-oxo-2-pyrazol-1-ylpropanamide Traditional Name: N-[2-chloro-5-[3-(2,4-dimethylphenoxy)propylsulfamoyl]phenyl]-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-N-(isopropylcarbamoyl)-2-methyl-anilino]-3-indolin-1-yl-3-keto-2-pyrazol-1-yl-propionamide Formula: C47H58ClN9O8S2 MolecularWeight: 976.60192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N(C(=O)NC(C)C)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCCOC3=C(C=C(C=C3)C)C)Cl)(C(=O)N4CCC5=CC=CC=C54)N6C=CC=N6)C

Isomeric SMILES

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N(C(=O)NC(C)C)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCCOC3=C(C=C(C=C3)C)C)Cl)(C(=O)N4CCC5=CC=CC=C54)N6C=CC=N6)C

InChI

InChI=1S/C47H58ClN9O8S2/c1-8-54(27-24-50-66(7,61)62)37-16-19-41(34(5)30-37)57(46(60)52-32(2)3)47(56-25-11-22-49-56,45(59)55-26-21-36-13-9-10-14-42(36)55)44(58)53-40-31-38(17-18-39(40)48)67(63,64)51-23-12-28-65-43-20-15-33(4)29-35(43)6/h9-11,13-20,22,25,29-32,50-51H,8,12,21,23-24,26-28H2,1-7H3,(H,52,60)(H,53,58)