2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid IUPAC Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoic acid Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Formula: C25H21BrN2O6S MolecularWeight: 557.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H21BrN2O6S/c26-19-11-9-18(10-12-19)24(29)27-20-13-15-22(16-14-20)35(32,33)28-23(25(30)31)8-4-5-17-34-21-6-2-1-3-7-21/h1-3,6-7,9-16,23,28H,8,17H2,(H,27,29)(H,30,31)