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

Systemtic Name: 4-[(Z)-4-[(1-methoxy-1-oxidanylidene-pent-4-en-2-yl)-(4-nitrophenyl)sulfonyl-amino]but-2-enoxy]benzoic acid Openeye Name: 4-[(Z)-4-[1-methoxycarbonylbut-3-enyl-(4-nitrophenyl)sulfonyl-amino]but-2-enoxy]benzoic acid CAS Name: 4-[(Z)-4-[(1-methoxy-1-oxopent-4-en-2-yl)-(4-nitrophenyl)sulfonylamino]but-2-enoxy]benzoic acid IUPAC Name: 4-[(Z)-4-[(1-methoxy-1-oxopent-4-en-2-yl)-(4-nitrophenyl)sulfonylamino]but-2-enoxy]benzoic acid Traditional Name: 4-[(Z)-4-[1-carbomethoxybut-3-enyl(nosyl)amino]but-2-enoxy]benzoic acid Formula: C23H24N2O9S MolecularWeight: 504.50966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=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(CC=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/C23H24N2O9S/c1-3-6-21(23(28)33-2)24(35(31,32)20-13-9-18(10-14-20)25(29)30)15-4-5-16-34-19-11-7-17(8-12-19)22(26)27/h3-5,7-14,21H,1,6,15-16H2,2H3,(H,26,27)/b5-4-