8-[(5-bromanylthiophen-2-yl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid

Systemtic Name: 8-[(5-bromanylthiophen-2-yl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Openeye Name: 8-[(5-bromo-2-thienyl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid CAS Name: 8-[(5-bromo-2-thiophenyl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid IUPAC Name: 8-[(5-bromothiophen-2-yl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Traditional Name: 8-[(5-bromo-2-thienyl)sulfonylamino]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Formula: C16H17BrN2O5S2 MolecularWeight: 461.35058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CCC2=C1)C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=C2CCN(CCC2=C1)C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN2O5S2/c1-24-13-9-11-5-7-19(16(20)21)6-4-10(11)8-12(13)18-26(22,23)15-3-2-14(17)25-15/h2-3,8-9,18H,4-7H2,1H3,(H,20,21)