[4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(m-tolyl)piperazino]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H28N4O3S/c1-18-4-2-5-20(16-18)24-12-14-25(15-13-24)22(27)19-7-10-26(11-8-19)30(28,29)21-6-3-9-23-17-21/h2-6,9,16-17,19H,7-8,10-15H2,1H3