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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-butoxybenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-butoxybenzenesulfonate CAS Name: 3-butoxybenzenesulfonic 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-butoxybenzenesulfonate Traditional Name: 3-butoxybenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C22H28N4O8S MolecularWeight: 508.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)NC(=NC(=O)OC)N

Isomeric SMILES

CCCCOC1=CC(=CC=C1)S(=O)(=O)OC2=CC(=C(C=C2)NC(=O)COC)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C22H28N4O8S/c1-4-5-11-33-15-7-6-8-17(12-15)35(29,30)34-16-9-10-18(24-20(27)14-31-2)19(13-16)25-21(23)26-22(28)32-3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,24,27)(H3,23,25,26,28)