N-[(3-bromophenyl)methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[(3-bromophenyl)methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[(3-bromophenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[(3-bromophenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[(3-bromophenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-(3-bromobenzyl)-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CC(=CC=C3)Br)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CC(=CC=C3)Br)NC(=O)C1

InChI

InChI=1S/C17H17BrN2O3S/c18-14-5-1-3-12(9-14)11-19-24(22,23)15-7-8-16-13(10-15)4-2-6-17(21)20-16/h1,3,5,7-10,19H,2,4,6,11H2,(H,20,21)