phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]-4-(propanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]-4-(propanoylamino)benzenesulfonate Openeye Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methyl-amino]-4-(propanoylamino)benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methylamino]-4-(1-oxopropylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]-methylamino]-4-(propanoylamino)benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]-methyl-amino]-4-propionamido-benzenesulfonic acid 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)S(=O)(=O)OC2=CC=CC=C2)N(C)C(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C)/C(=N\C(=O)OC)/N

InChI

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