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

Systemtic Name: 1-methylsulfonyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide Traditional Name: 1-mesyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)isonipecotamide Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-3-12-29(26,27)22-11-6-15-4-5-18(13-17(15)14-22)20-19(23)16-7-9-21(10-8-16)28(2,24)25/h4-5,13,16H,3,6-12,14H2,1-2H3,(H,20,23)