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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-propoxybenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-propoxybenzenesulfonate CAS Name: 3-propoxybenzenesulfonic 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-propoxybenzenesulfonate Traditional Name: 3-propoxybenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)NC(=NC(=O)OC)N

Isomeric SMILES

CCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C21H26N4O8S/c1-4-10-32-14-6-5-7-16(11-14)34(28,29)33-15-8-9-17(23-19(26)13-30-2)18(12-15)24-20(22)25-21(27)31-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,23,26)(H3,22,24,25,27)