3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C27H36N3O4S+ MolecularWeight: 498.65744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)[NH+]5CCOCC5

InChI

InChI=1S/C27H35N3O4S/c31-26(28-21-27(12-4-1-5-13-27)29-15-17-34-18-16-29)23-9-6-10-25(19-23)35(32,33)30-14-11-22-7-2-3-8-24(22)20-30/h2-3,6-10,19H,1,4-5,11-18,20-21H2,(H,28,31)/p+1