methyl 4-[[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-4-[2-(3-methylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[2-(3-methylphenyl)sulfonyl-1-oxobutyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-(m-tolylsulfonyl)butanoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C26H25ClN2O7S MolecularWeight: 545.0039

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C26H25ClN2O7S/c1-4-23(37(34,35)18-7-5-6-15(2)12-18)25(32)28-20-14-22(30)21(13-19(20)27)29-24(31)16-8-10-17(11-9-16)26(33)36-3/h5-14,23,30H,4H2,1-3H3,(H,28,32)(H,29,31)