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

Systemtic Name: [3-[(N'-cyclohexylcarbamimidoyl)-methoxycarbonyl-amino]-4-(2-methoxyethanoylamino)phenyl] benzenesulfonate Openeye Name: [3-[(N'-cyclohexylcarbamimidoyl)-methoxycarbonyl-amino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[amino(cyclohexylimino)methyl]-methoxycarbonylamino]-4-[(2-methoxy-1-oxoethyl)amino]phenyl] ester IUPAC Name: [3-[(N'-cyclohexylcarbamimidoyl)-methoxycarbonylamino]-4-[(2-methoxyacetyl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[carbomethoxy-(N'-cyclohexylamidino)amino]-4-[(2-methoxyacetyl)amino]phenyl] ester Formula: C24H30N4O7S MolecularWeight: 518.5826

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=NC3CCCCC3)N)C(=O)OC

Isomeric SMILES

COCC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)N(C(=NC3CCCCC3)N)C(=O)OC

InChI

InChI=1S/C24H30N4O7S/c1-33-16-22(29)27-20-14-13-18(35-36(31,32)19-11-7-4-8-12-19)15-21(20)28(24(30)34-2)23(25)26-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H2,25,26)(H,27,29)