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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H35N3O3S/c1-28(2)26(16-7-3-4-8-17-26)20-27-25(30)22-11-13-24(14-12-22)33(31,32)29-18-15-21-9-5-6-10-23(21)19-29/h5-6,9-14H,3-4,7-8,15-20H2,1-2H3,(H,27,30)