N-(cyanomethyl)-2-[3-[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[4-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[4-(4-formylpiperazin-1-yl)sulfonylphenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[4-(4-formylpiperazino)sulfonylphenyl]phenyl]-4-methyl-valeramide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C(=O)NCC#N

InChI

InChI=1S/C25H30N4O4S/c1-19(2)16-24(25(31)27-11-10-26)22-5-3-4-21(17-22)20-6-8-23(9-7-20)34(32,33)29-14-12-28(18-30)13-15-29/h3-9,17-19,24H,11-16H2,1-2H3,(H,27,31)