2-(2-methylsulfonylphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-methylsulfonylphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-methylsulfonylphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-methylsulfonylphenyl)sulfonyl-5-(1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-methylsulfonylphenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-mesylphenyl)sulfonyl-5-piperazino-3,4-dihydro-1H-isoquinoline Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC3=C(C2)C=CC=C3N4CCNCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC3=C(C2)C=CC=C3N4CCNCC4

InChI

InChI=1S/C20H25N3O4S2/c1-28(24,25)19-7-2-3-8-20(19)29(26,27)23-12-9-17-16(15-23)5-4-6-18(17)22-13-10-21-11-14-22/h2-8,21H,9-15H2,1H3