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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-mesyl-isonipecotamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C20H27N3O4S/c1-28(26,27)23-10-7-15(8-11-23)19(24)21-18-5-4-14-6-9-22(13-17(14)12-18)20(25)16-2-3-16/h4-5,12,15-16H,2-3,6-11,13H2,1H3,(H,21,24)