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

Systemtic Name: (3-tert-butylphenyl) 3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: (3-tert-butylphenyl) 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-tert-butylphenyl) ester IUPAC Name: (3-tert-butylphenyl) 4-[(2-methoxyacetyl)amino]-3-[[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid (3-tert-butylphenyl) ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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