phenyl 4-acetamido-3-[butanoyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate

Systemtic Name: phenyl 4-acetamido-3-[butanoyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Openeye Name: phenyl 4-acetamido-3-[butanoyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-(1-oxobutyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-acetamido-3-[butanoyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 4-acetamido-3-[butyryl-[(Z)-N'-carbomethoxyamidino]amino]benzenesulfonic acid phenyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)C(=NC(=O)OC)N

Isomeric SMILES

CCCC(=O)N(C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=O)C)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C21H24N4O7S/c1-4-8-19(27)25(20(22)24-21(28)31-3)18-13-16(11-12-17(18)23-14(2)26)33(29,30)32-15-9-6-5-7-10-15/h5-7,9-13H,4,8H2,1-3H3,(H,23,26)(H2,22,24,28)