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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-mesyl-isonipecotamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-13(22)20-8-5-14-3-4-17(11-16(14)12-20)19-18(23)15-6-9-21(10-7-15)26(2,24)25/h3-4,11,15H,5-10,12H2,1-2H3,(H,19,23)