2-ethanoyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethanoyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-acetyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-acetyl-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-acetyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-acetyl-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H29N3O5S/c1-17(28)27-16-19-9-5-4-8-18(19)14-21(27)24(29)25-20-10-11-22(32-2)23(15-20)33(30,31)26-12-6-3-7-13-26/h4-5,8-11,15,21H,3,6-7,12-14,16H2,1-2H3,(H,25,29)