methyl (E)-3-(3-carbamimidoylphenyl)-2-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]prop-2-enoate

Systemtic Name: methyl (E)-3-(3-carbamimidoylphenyl)-2-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]prop-2-enoate Openeye Name: methyl (E)-3-(3-carbamimidoylphenyl)-2-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]prop-2-enoate CAS Name: (E)-3-(3-carbamimidoylphenyl)-2-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(3-carbamimidoylphenyl)-2-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]prop-2-enoate Traditional Name: (E)-3-(3-amidinophenyl)-2-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]acrylic acid methyl ester Formula: C24H22N4O5S MolecularWeight: 478.52028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CC=C1)C(=N)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=CC=C1)C(=N)N)/C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N

InChI

InChI=1S/C24H22N4O5S/c1-33-24(30)20(14-15-5-4-6-17(13-15)22(25)26)23(29)28-18-11-9-16(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-14H,1H3,(H3,25,26)(H,28,29)(H2,27,31,32)/b20-14+