N-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-2-phenyl-butanamide

Systemtic Name: N-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-2-phenyl-butanamide Openeye Name: 2-phenyl-N-[6-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-pyridyl]butanamide CAS Name: N-[6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridinyl]-2-phenylbutanamide IUPAC Name: N-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-2-phenylbutanamide Traditional Name: 2-phenyl-N-[6-(4-tosylpiperazino)-3-pyridyl]butyramide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H30N4O3S/c1-3-24(21-7-5-4-6-8-21)26(31)28-22-11-14-25(27-19-22)29-15-17-30(18-16-29)34(32,33)23-12-9-20(2)10-13-23/h4-14,19,24H,3,15-18H2,1-2H3,(H,28,31)