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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-1-yl]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(3-methylbenzyl)piperazino]-[1-(3-pyridylsulfonyl)-4-piperidyl]methanone Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H30N4O3S/c1-19-4-2-5-20(16-19)18-25-12-14-26(15-13-25)23(28)21-7-10-27(11-8-21)31(29,30)22-6-3-9-24-17-22/h2-6,9,16-17,21H,7-8,10-15,18H2,1H3