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

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]isonipecotamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O4S/c23-21(26)17-8-11-24(12-9-17)22(27)18-6-3-7-20(14-18)30(28,29)25-13-10-16-4-1-2-5-19(16)15-25/h1-7,14,17H,8-13,15H2,(H2,23,26)