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

Systemtic Name: 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid Formula: C23H24BrN3O6S MolecularWeight: 550.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrN3O6S/c24-18-6-4-17(5-7-18)22(28)25-19-8-10-20(11-9-19)34(31,32)26-21(23(29)30)3-1-2-12-27-13-15-33-16-14-27/h4-11,21,26H,3,12-16H2,(H,25,28)(H,29,30)