N-(cyanomethyl)-4-methyl-2-[3-[1-(phenylsulfonyl)indol-5-yl]phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[1-(phenylsulfonyl)indol-5-yl]phenyl]pentanamide Openeye Name: 2-[3-[1-(benzenesulfonyl)indol-5-yl]phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-[1-(benzenesulfonyl)-5-indolyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-[1-(benzenesulfonyl)indol-5-yl]phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-(1-besylindol-5-yl)phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)NCC#N

InChI

InChI=1S/C28H27N3O3S/c1-20(2)17-26(28(32)30-15-14-29)23-8-6-7-21(18-23)22-11-12-27-24(19-22)13-16-31(27)35(33,34)25-9-4-3-5-10-25/h3-13,16,18-20,26H,15,17H2,1-2H3,(H,30,32)