(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-esyl-3,4-dihydro-1H-isoquinolin-3-yl)-(4-tosylpiperazino)methanone Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H29N3O5S2/c1-3-32(28,29)26-17-20-7-5-4-6-19(20)16-22(26)23(27)24-12-14-25(15-13-24)33(30,31)21-10-8-18(2)9-11-21/h4-11,22H,3,12-17H2,1-2H3