[3-(1-carbamimidoylpiperidin-3-yl)-2-methoxy-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-(1-carbamimidoylpiperidin-3-yl)-2-methoxy-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-(1-carbamimidoyl-3-piperidyl)-2-methoxy-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-(1-carbamimidoyl-3-piperidinyl)-2-methoxy-5-methylphenyl] ester IUPAC Name: [3-(1-carbamimidoylpiperidin-3-yl)-2-methoxy-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-(1-amidino-3-piperidyl)-2-methoxy-5-methyl-phenyl] ester Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCCN(C2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCCN(C2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-13-10-15(14-6-5-9-24(12-14)20(22)23)19(27-2)17(11-13)28-29(25,26)18-8-4-3-7-16(18)21/h3-4,7-8,10-11,14H,5-6,9,12H2,1-2H3,(H3,22,23)