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

Systemtic Name: phenyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: phenyl 4-[(2-methoxyacetyl)amino]-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-[(2-methoxy-1-oxoethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[(2-methoxyacetyl)amino]-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid phenyl ester Formula: C20H22N4O9S MolecularWeight: 494.47508

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O9S/c1-30-12-17(25)22-15-10-9-14(34(28,29)33-13-7-5-4-6-8-13)11-16(15)24(20(27)32-3)18(21)23-19(26)31-2/h4-11H,12H2,1-3H3,(H,22,25)(H2,21,23,26)