4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-veratryl-benzamide Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C25H25ClN2O5S/c1-32-22-10-7-17(13-23(22)33-2)15-27-25(29)19-8-9-21(26)24(14-19)34(30,31)28-12-11-18-5-3-4-6-20(18)16-28/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,29)