N-[3-cyano-1-[1H-indol-3-yl-(4-methylphenyl)sulfonyl-methyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide

Systemtic Name: N-[3-cyano-1-[1H-indol-3-yl-(4-methylphenyl)sulfonyl-methyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide Openeye Name: N-[3-cyano-1-[1H-indol-3-yl(p-tolylsulfonyl)methyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[3-cyano-1-[1H-indol-3-yl-(4-methylphenyl)sulfonylmethyl]-3-pyrrolidinyl]-2-(cyclohexylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: N-[3-cyano-1-[1H-indol-3-yl-(4-methylphenyl)sulfonylmethyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-[3-cyano-1-[1H-indol-3-yl(tosyl)methyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-keto-4-morpholino-butyramide Formula: C36H45N5O5S MolecularWeight: 659.838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)N4CCC(C4)(C#N)NC(=O)C(CC5CCCCC5)CC(=O)N6CCOCC6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)N4CCC(C4)(C#N)NC(=O)C(CC5CCCCC5)CC(=O)N6CCOCC6

InChI

InChI=1S/C36H45N5O5S/c1-26-11-13-29(14-12-26)47(44,45)35(31-23-38-32-10-6-5-9-30(31)32)41-16-15-36(24-37,25-41)39-34(43)28(21-27-7-3-2-4-8-27)22-33(42)40-17-19-46-20-18-40/h5-6,9-14,23,27-28,35,38H,2-4,7-8,15-22,25H2,1H3,(H,39,43)