N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H37N3O3S/c1-4-25(29-14-11-22-7-5-6-8-24(22)19-29)18-28-27(31)23-12-15-30(16-13-23)34(32,33)26-10-9-20(2)21(3)17-26/h5-10,17,23,25H,4,11-16,18-19H2,1-3H3,(H,28,31)