4-[(Z)-4-[(1-methoxy-1-oxidanylidene-hept-6-en-2-yl)-(4-nitrophenyl)sulfonyl-amino]but-2-enoxy]benzoic acid

Systemtic Name: 4-[(Z)-4-[(1-methoxy-1-oxidanylidene-hept-6-en-2-yl)-(4-nitrophenyl)sulfonyl-amino]but-2-enoxy]benzoic acid Openeye Name: 4-[(Z)-4-[1-methoxycarbonylhex-5-enyl-(4-nitrophenyl)sulfonyl-amino]but-2-enoxy]benzoic acid CAS Name: 4-[(Z)-4-[(1-methoxy-1-oxohept-6-en-2-yl)-(4-nitrophenyl)sulfonylamino]but-2-enoxy]benzoic acid IUPAC Name: 4-[(Z)-4-[(1-methoxy-1-oxohept-6-en-2-yl)-(4-nitrophenyl)sulfonylamino]but-2-enoxy]benzoic acid Traditional Name: 4-[(Z)-4-[1-carbomethoxyhex-5-enyl(nosyl)amino]but-2-enoxy]benzoic acid Formula: C25H28N2O9S MolecularWeight: 532.56282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC=C)N(CC=CCOC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCCC=C)N(C/C=C\COC1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O9S/c1-3-4-5-8-23(25(30)35-2)26(37(33,34)22-15-11-20(12-16-22)27(31)32)17-6-7-18-36-21-13-9-19(10-14-21)24(28)29/h3,6-7,9-16,23H,1,4-5,8,17-18H2,2H3,(H,28,29)/b7-6-