[(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [(3S)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [(3S)-2-mesyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-thenoyl)piperazino]methanone Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O4S2/c1-29(26,27)23-14-16-6-3-2-5-15(16)13-17(23)19(24)21-8-10-22(11-9-21)20(25)18-7-4-12-28-18/h2-7,12,17H,8-11,13-14H2,1H3/t17-/m0/s1