2-(3,4-dimethoxyphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(3-phenoxybenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H30N2O6S MolecularWeight: 558.6447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C31H30N2O6S/c1-37-29-16-15-27(19-30(29)38-2)40(35,36)33-21-24-11-7-6-10-23(24)18-28(33)31(34)32-20-22-9-8-14-26(17-22)39-25-12-4-3-5-13-25/h3-17,19,28H,18,20-21H2,1-2H3,(H,32,34)