2-methoxy-5-[[2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[methyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[methyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]methyl]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-22(29(26,27)11-10-15-6-4-3-5-7-15)14-19(23)21-13-16-8-9-18(28-2)17(12-16)20(24)25/h3-12H,13-14H2,1-2H3,(H,21,23)(H,24,25)/b11-10+