methyl 4-[2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[(E)-2-phenylethenyl]sulfonyl-(phenylmethyl)amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl-[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl-[(E)-styryl]sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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