methyl 4-[2-[(4-methoxyphenyl)sulfonyl-prop-2-enyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-methoxyphenyl)sulfonyl-prop-2-enyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[allyl-(4-methoxyphenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[allyl-(4-methoxyphenyl)sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O6S/c1-4-13-22(29(25,26)18-11-9-17(27-2)10-12-18)14-19(23)21-16-7-5-15(6-8-16)20(24)28-3/h4-12H,1,13-14H2,2-3H3,(H,21,23)