2-azanyl-N-[6-chloranyl-3-(4-methylphenyl)sulfonyl-2-(phenylcarbonyl)indol-1-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[6-chloranyl-3-(4-methylphenyl)sulfonyl-2-(phenylcarbonyl)indol-1-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[2-benzoyl-6-chloro-3-(p-tolylsulfonyl)indol-1-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-benzoyl-6-chloro-3-(4-methylphenyl)sulfonyl-1-indolyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[2-benzoyl-6-chloro-3-(4-methylphenyl)sulfonylindol-1-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-(2-benzoyl-6-chloro-3-tosyl-indol-1-yl)-3-phenyl-propionamide Formula: C31H26ClN3O4S MolecularWeight: 572.07384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=CC(=C3)Cl)NC(=O)C(CC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=CC(=C3)Cl)NC(=O)C(CC4=CC=CC=C4)N)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H26ClN3O4S/c1-20-12-15-24(16-13-20)40(38,39)30-25-17-14-23(32)19-27(25)35(28(30)29(36)22-10-6-3-7-11-22)34-31(37)26(33)18-21-8-4-2-5-9-21/h2-17,19,26H,18,33H2,1H3,(H,34,37)