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

Systemtic Name: 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-methoxy-4-hexynoic acid IUPAC Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxyhex-4-ynoic acid Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O6S/c1-29-13-3-2-4-18(20(25)26)23-30(27,28)17-11-9-16(10-12-17)22-19(24)14-5-7-15(21)8-6-14/h5-12,18,23H,4,13H2,1H3,(H,22,24)(H,25,26)