methyl 2-[2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[benzyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[benzyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O5S/c1-32-25(29)22-14-8-9-15-23(22)26-24(28)19-27(18-21-12-6-3-7-13-21)33(30,31)17-16-20-10-4-2-5-11-20/h2-17H,18-19H2,1H3,(H,26,28)/b17-16+