[3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-methylbenzenesulfonate

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-methylbenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)NC(=NC(=O)OC)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C19H22N4O7S/c1-12-5-4-6-14(9-12)31(26,27)30-13-7-8-15(21-17(24)11-28-2)16(10-13)22-18(20)23-19(25)29-3/h4-10H,11H2,1-3H3,(H,21,24)(H3,20,22,23,25)