N-(7-chloranyl-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-1H-indol-5-yl)-3-(hexadecylsulfonylamino)benzamide

Systemtic Name: N-(7-chloranyl-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-1H-indol-5-yl)-3-(hexadecylsulfonylamino)benzamide Openeye Name: N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-indolin-5-yl)-3-(hexadecylsulfonylamino)benzamide CAS Name: N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-(hexadecylsulfonylamino)benzamide IUPAC Name: N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-(hexadecylsulfonylamino)benzamide Traditional Name: 3-(cetylsulfonylamino)-N-(7-chloro-4-hydroxy-2-keto-3,3-dimethyl-indolin-5-yl)benzamide Formula: C33H48ClN3O5S MolecularWeight: 634.26932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C3C(=C2O)C(C(=O)N3)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C3C(=C2O)C(C(=O)N3)(C)C)Cl

InChI

InChI=1S/C33H48ClN3O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-43(41,42)37-25-20-18-19-24(22-25)31(39)35-27-23-26(34)29-28(30(27)38)33(2,3)32(40)36-29/h18-20,22-23,37-38H,4-17,21H2,1-3H3,(H,35,39)(H,36,40)