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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-methylpiperazino)sulfonylphenyl]phenyl]valeramide Formula: C25H32N4O3S MolecularWeight: 468.61158

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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)C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)33(31,32)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)