methyl 5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-4-sulfanyl-benzoate

Systemtic Name: methyl 5-[(N-azanyl-N'-prop-2-enyl-carbamimidoyl)sulfamoyl]-2-chloranyl-4-sulfanyl-benzoate Openeye Name: methyl 5-[(N'-allyl-N-amino-carbamimidoyl)sulfamoyl]-2-chloro-4-sulfanyl-benzoate CAS Name: 2-chloro-5-[[hydrazinyl(prop-2-enylimino)methyl]sulfamoyl]-4-mercaptobenzoic acid methyl ester IUPAC Name: methyl 5-[(N-amino-N'-prop-2-enylcarbamimidoyl)sulfamoyl]-2-chloro-4-sulfanylbenzoate Traditional Name: 5-[(N'-allyl-N-amino-amidino)sulfamoyl]-2-chloro-4-mercapto-benzoic acid methyl ester Formula: C12H15ClN4O4S2 MolecularWeight: 378.8549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCC=C)NN

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCC=C)NN

InChI

InChI=1S/C12H15ClN4O4S2/c1-3-4-15-12(16-14)17-23(19,20)10-5-7(11(18)21-2)8(13)6-9(10)22/h3,5-6,22H,1,4,14H2,2H3,(H2,15,16,17)