N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C23H26N4O4S/c1-31-20-7-9-21(10-8-20)32(29,30)27-16-19-6-3-2-5-18(19)15-22(27)23(28)25-11-4-13-26-14-12-24-17-26/h2-3,5-10,12,14,17,22H,4,11,13,15-16H2,1H3,(H,25,28)