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

Systemtic Name: phenyl 3-[butyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: phenyl 3-[butyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-butylamino]-4-[(2-methoxy-1-oxoethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[butyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonate Traditional Name: 3-[butyl-[(Z)-N'-carbomethoxyamidino]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid phenyl ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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