(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(3-thenyl)piperazino]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H27N3O3S2/c1-2-29(26,27)24-15-19-6-4-3-5-18(19)13-20(24)21(25)23-10-8-22(9-11-23)14-17-7-12-28-16-17/h3-7,12,16,20H,2,8-11,13-15H2,1H3