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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-thienyl]phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[5-(4-methylpiperazino)sulfonyl-2-thienyl]phenyl]valeramide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C)C(=O)NCC#N

InChI

InChI=1S/C23H30N4O3S2/c1-17(2)15-20(23(28)25-10-9-24)18-5-4-6-19(16-18)21-7-8-22(31-21)32(29,30)27-13-11-26(3)12-14-27/h4-8,16-17,20H,10-15H2,1-3H3,(H,25,28)