N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]cyclohexyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4)NC(=O)C1

InChI

InChI=1S/C27H33N3O4S/c31-26-7-3-6-22-16-24(12-13-25(22)29-26)35(33,34)28-17-19-8-10-21(11-9-19)27(32)30-15-14-20-4-1-2-5-23(20)18-30/h1-2,4-5,12-13,16,19,21,28H,3,6-11,14-15,17-18H2,(H,29,31)