[3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(propanoylamino)phenyl] benzenesulfonate

Systemtic Name: [3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(propanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(propanoylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(methylimino)methyl]-methoxycarbonylamino]-4-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-[methoxycarbonyl-(N'-methylcarbamimidoyl)amino]-4-(propanoylamino)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[carbomethoxy-(N'-methylamidino)amino]-4-propionamido-phenyl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=NC)N)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=NC)N)C(=O)OC

InChI

InChI=1S/C19H22N4O6S/c1-4-17(24)22-15-11-10-13(29-30(26,27)14-8-6-5-7-9-14)12-16(15)23(18(20)21-2)19(25)28-3/h5-12H,4H2,1-3H3,(H2,20,21)(H,22,24)