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

Systemtic Name: [3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)phenyl] 3-bromanylbenzenesulfonate Openeye Name: [4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic 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-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C18H19BrN4O7S MolecularWeight: 515.33506

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)Br)NC(=NC(=O)OC)N

Isomeric SMILES

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)Br)N/C(=N\C(=O)OC)/N

InChI

InChI=1S/C18H19BrN4O7S/c1-28-10-16(24)21-14-7-6-12(9-15(14)22-17(20)23-18(25)29-2)30-31(26,27)13-5-3-4-11(19)8-13/h3-9H,10H2,1-2H3,(H,21,24)(H3,20,22,23,25)