5-[(5-bromanylthiophen-2-yl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid Openeye Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid CAS Name: 5-[(5-bromo-2-thiophenyl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid Traditional Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-5-(dimethylamino)-2,4-dihydro-1H-3-benzazepine-3-carboxylic acid Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CN(CCC2=CC=CC=C21)C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CN(C)C1(CN(CCC2=CC=CC=C21)C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3O4S2/c1-20(2)17(19-27(24,25)15-8-7-14(18)26-15)11-21(16(22)23)10-9-12-5-3-4-6-13(12)17/h3-8,19H,9-11H2,1-2H3,(H,22,23)