4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-N-methylsulfonyl-4-oxidanylidene-2-phenyl-butanamide

Systemtic Name: 4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-N-methylsulfonyl-4-oxidanylidene-2-phenyl-butanamide Openeye Name: 4-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-N-methylsulfonyl-4-oxo-2-phenyl-butanamide CAS Name: 4-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-N-methylsulfonyl-4-oxo-2-phenylbutanamide IUPAC Name: 4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-N-methylsulfonyl-4-oxo-2-phenylbutanamide Traditional Name: 4-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-4-keto-N-mesyl-2-phenyl-butyramide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C23H27N5O4S/c1-17-19(9-6-10-25-17)21(16-24)27-11-13-28(14-12-27)22(29)15-20(18-7-4-3-5-8-18)23(30)26-33(2,31)32/h3-10,20-21H,11-15H2,1-2H3,(H,26,30)