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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(dimethylaminomethyl)benzyl]benzamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H29N3O3S/c1-28(2)18-21-12-10-20(11-13-21)17-27-26(30)23-8-5-9-25(16-23)33(31,32)29-15-14-22-6-3-4-7-24(22)19-29/h3-13,16H,14-15,17-19H2,1-2H3,(H,27,30)