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

Systemtic Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [3-methyl-4-(m-tolyl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [3-methyl-4-(m-tolyl)piperazino]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c1-17-6-3-8-20(14-17)25-12-11-23(15-18(25)2)22(26)19-7-4-10-24(16-19)30(27,28)21-9-5-13-29-21/h3,5-6,8-9,13-14,18-19H,4,7,10-12,15-16H2,1-2H3