N-(cyanomethyl)-4-methyl-2-[3-(3-piperazin-1-ylsulfonylphenyl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(3-piperazin-1-ylsulfonylphenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(3-piperazin-1-ylsulfonylphenyl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[3-(1-piperazinylsulfonyl)phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(3-piperazin-1-ylsulfonylphenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(3-piperazinosulfonylphenyl)phenyl]valeramide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)S(=O)(=O)N3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)S(=O)(=O)N3CCNCC3)C(=O)NCC#N

InChI

InChI=1S/C24H30N4O3S/c1-18(2)15-23(24(29)27-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)32(30,31)28-13-11-26-12-14-28/h3-8,16-18,23,26H,10-15H2,1-2H3,(H,27,29)