2-[[4-(methoxycarbonylamino)phenyl]sulfonyl-prop-2-enyl-amino]benzoic acid

Systemtic Name: 2-[[4-(methoxycarbonylamino)phenyl]sulfonyl-prop-2-enyl-amino]benzoic acid Openeye Name: 2-[allyl-[4-(methoxycarbonylamino)phenyl]sulfonyl-amino]benzoic acid CAS Name: 2-[[4-(methoxycarbonylamino)phenyl]sulfonyl-prop-2-enylamino]benzoic acid IUPAC Name: 2-[[4-(methoxycarbonylamino)phenyl]sulfonyl-prop-2-enylamino]benzoic acid Traditional Name: 2-[allyl-[4-(carbomethoxyamino)phenyl]sulfonyl-amino]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O6S/c1-3-12-20(16-7-5-4-6-15(16)17(21)22)27(24,25)14-10-8-13(9-11-14)19-18(23)26-2/h3-11H,1,12H2,2H3,(H,19,23)(H,21,22)