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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-27-13-5-12-22-21(24)20-14-16-6-3-4-7-17(16)15-23(20)29(25,26)19-10-8-18(28-2)9-11-19/h3-4,6-11,20H,5,12-15H2,1-2H3,(H,22,24)