N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-[[3-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoyl-benzamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-[[3-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoyl-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-[[3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoyl-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-[oxo-[3-[oxo-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]methyl]anilino]methyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoylbenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-[[3-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]phenyl]carbamoyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoylbenzamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)-3-[[3-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]-3,5-bis(2-hydroxyethyl)-2-sulfamoyl-benzamide Formula: C50H56N6O9S MolecularWeight: 917.07944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3S(=O)(=O)N)CCO)CCO)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=O)N(N5)C6=CC=CC=C6)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3S(=O)(=O)N)CCO)CCO)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=O)N(N5)C6=CC=CC=C6)C(C)(C)CC

InChI

InChI=1S/C50H56N6O9S/c1-7-49(3,4)34-17-19-42(40(28-34)50(5,6)8-2)65-41-20-18-36(53-48(62)39-26-31(21-23-57)25-32(22-24-58)45(39)66(51,63)64)29-38(41)47(61)52-35-14-12-13-33(27-35)46(60)54-43-30-44(59)56(55-43)37-15-10-9-11-16-37/h9-20,25-30,55,57-58H,7-8,21-24H2,1-6H3,(H,52,61)(H,53,62)(H,54,60)(H2,51,63,64)