[4-(3-methylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(m-tolyl)piperazino]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c1-17-5-2-7-19(15-17)22-10-12-23(13-11-22)21(25)18-6-3-9-24(16-18)29(26,27)20-8-4-14-28-20/h2,4-5,7-8,14-15,18H,3,6,9-13,16H2,1H3