(2-aminophenyl)sulfonyl 3-[3-azanyl-4-(N-cyano-C-methylsulfanyl-carbonimidoyl)-2-phenyl-phenyl]propanoate

Systemtic Name: (2-aminophenyl)sulfonyl 3-[3-azanyl-4-(N-cyano-C-methylsulfanyl-carbonimidoyl)-2-phenyl-phenyl]propanoate Openeye Name: (2-aminophenyl)sulfonyl 3-[3-amino-4-(N-cyano-C-methylsulfanyl-carbonimidoyl)-2-phenyl-phenyl]propanoate CAS Name: 3-[3-amino-4-[cyanoimino-(methylthio)methyl]-2-phenylphenyl]propanoic acid (2-aminophenyl)sulfonyl ester IUPAC Name: (2-aminophenyl)sulfonyl 3-[3-amino-4-(N-cyano-C-methylsulfanylcarbonimidoyl)-2-phenylphenyl]propanoate Traditional Name: 3-[3-amino-4-[N-cyano-C-(methylthio)carbonimidoyl]-2-phenyl-phenyl]propionic acid (2-aminophenyl)sulfonyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)C1=C(C(=C(C=C1)CCC(=O)OS(=O)(=O)C2=CC=CC=C2N)C3=CC=CC=C3)N

Isomeric SMILES

CSC(=NC#N)C1=C(C(=C(C=C1)CCC(=O)OS(=O)(=O)C2=CC=CC=C2N)C3=CC=CC=C3)N

InChI

InChI=1S/C24H22N4O4S2/c1-33-24(28-15-25)18-13-11-17(22(23(18)27)16-7-3-2-4-8-16)12-14-21(29)32-34(30,31)20-10-6-5-9-19(20)26/h2-11,13H,12,14,26-27H2,1H3