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

Systemtic Name: (3-bromophenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: (3-bromophenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]amino]-4-[(2-methoxy-1-oxoethyl)amino]benzenesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid (3-bromophenyl) ester Formula: C18H19BrN4O7S MolecularWeight: 515.33506

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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)Br)NC(=NC(=O)OC)N

Isomeric SMILES

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

InChI

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