2-(azepan-1-yl)-5-[(4-bromophenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-(azepan-1-yl)-5-[(4-bromophenyl)sulfonylamino]benzoic acid Openeye Name: 2-(azepan-1-yl)-5-[(4-bromophenyl)sulfonylamino]benzoic acid CAS Name: 2-(1-azepanyl)-5-[(4-bromophenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(azepan-1-yl)-5-[(4-bromophenyl)sulfonylamino]benzoic acid Traditional Name: 2-(azepan-1-yl)-5-(brosylamino)benzoic acid Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H21BrN2O4S/c20-14-5-8-16(9-6-14)27(25,26)21-15-7-10-18(17(13-15)19(23)24)22-11-3-1-2-4-12-22/h5-10,13,21H,1-4,11-12H2,(H,23,24)