1-methylsulfonyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperidine-4-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-mesyl-isonipecotamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

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