7-[(5-bromanylthiophen-2-yl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid

Systemtic Name: 7-[(5-bromanylthiophen-2-yl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Openeye Name: 7-[(5-bromo-2-thienyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid CAS Name: 7-[(5-bromo-2-thiophenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid IUPAC Name: 7-[(5-bromothiophen-2-yl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Traditional Name: 7-[(5-bromo-2-thienyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Formula: C15H15BrN2O4S2 MolecularWeight: 431.3246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CN(CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C15H15BrN2O4S2/c16-13-3-4-14(23-13)24(21,22)17-12-2-1-10-5-7-18(15(19)20)8-6-11(10)9-12/h1-4,9,17H,5-8H2,(H,19,20)