N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]isonipecotamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O4S/c1-17(27)25-13-10-19(11-14-25)23(28)24-21-6-8-22(9-7-21)31(29,30)26-15-12-18-4-2-3-5-20(18)16-26/h2-9,19H,10-16H2,1H3,(H,24,28)