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

Systemtic Name: [3-[(N'-butylcarbamimidoyl)-methoxycarbonyl-amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[(N'-butylcarbamimidoyl)-methoxycarbonyl-amino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(butylimino)methyl]-methoxycarbonylamino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [3-[(N'-butylcarbamimidoyl)-methoxycarbonylamino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[(N'-butylamidino)-carbomethoxy-amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)N(C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)COC)C(=O)OC

Isomeric SMILES

CCCCN=C(N)N(C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)COC)C(=O)OC

InChI

InChI=1S/C22H28N4O7S/c1-4-5-13-24-21(23)26(22(28)32-3)19-14-16(11-12-18(19)25-20(27)15-31-2)33-34(29,30)17-9-7-6-8-10-17/h6-12,14H,4-5,13,15H2,1-3H3,(H2,23,24)(H,25,27)