[3-[(1-carbamimidoylpiperidin-4-yl)methoxy]-5-ethyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[(1-carbamimidoylpiperidin-4-yl)methoxy]-5-ethyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[(1-carbamimidoyl-4-piperidyl)methoxy]-5-ethyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[(1-carbamimidoyl-4-piperidinyl)methoxy]-5-ethylphenyl] ester IUPAC Name: [3-[(1-carbamimidoylpiperidin-4-yl)methoxy]-5-ethylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[(1-amidino-4-piperidyl)methoxy]-5-ethyl-phenyl] ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCN(CC3)C(=N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C21H26ClN3O4S/c1-2-15-11-17(28-14-16-7-9-25(10-8-16)21(23)24)13-18(12-15)29-30(26,27)20-6-4-3-5-19(20)22/h3-6,11-13,16H,2,7-10,14H2,1H3,(H3,23,24)