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

Systemtic Name: N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(3-methylsulfonylphenyl)sulfonyl-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-(3-methylsulfonylphenyl)sulfonyl-3-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(3-mesylphenyl)sulfonyl-3-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)N2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

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