[2-methoxy-3-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperidin-4-yl]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [2-methoxy-3-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperidin-4-yl]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [2-methoxy-3-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]-4-piperidyl]-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[1-[(E)-amino(methoxycarbonylimino)methyl]-4-piperidinyl]-2-methoxy-5-methylphenyl] ester IUPAC Name: [2-methoxy-3-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperidin-4-yl]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[1-[(E)-N'-carbomethoxyamidino]-4-piperidyl]-2-methoxy-5-methyl-phenyl] ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=NC(=O)OC)N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCN(CC2)/C(=N/C(=O)OC)/N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O6S/c1-14-12-16(15-8-10-26(11-9-15)21(24)25-22(27)31-3)20(30-2)18(13-14)32-33(28,29)19-7-5-4-6-17(19)23/h4-7,12-13,15H,8-11H2,1-3H3,(H2,24,25,27)