N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(3-methylsulfonylphenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(3-mesylphenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O5S2/c1-31(27,28)20-7-4-8-21(15-20)32(29,30)25-13-10-19(11-14-25)23-22(26)24-12-9-17-5-2-3-6-18(17)16-24/h2-8,15,19H,9-14,16H2,1H3,(H,23,26)