[4-acetamido-3-[cyclohexylcarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate

Systemtic Name: [4-acetamido-3-[cyclohexylcarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Openeye Name: [4-acetamido-3-[cyclohexanecarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-acetamido-3-[[(Z)-amino(methoxycarbonylimino)methyl]-[cyclohexyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-acetamido-3-[cyclohexanecarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-acetamido-3-[[(Z)-N'-carbomethoxyamidino]-(cyclohexanecarbonyl)amino]phenyl] ester Formula: C24H28N4O7S MolecularWeight: 516.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=O)C3CCCCC3)C(=NC(=O)OC)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=O)C3CCCCC3)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C24H28N4O7S/c1-16(29)26-20-14-13-18(35-36(32,33)19-11-7-4-8-12-19)15-21(20)28(23(25)27-24(31)34-2)22(30)17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10H2,1-2H3,(H,26,29)(H2,25,27,31)