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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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