[3-[(1-ethanimidoylpiperidin-4-yl)methoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[(1-ethanimidoylpiperidin-4-yl)methoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[(1-ethanimidoyl-4-piperidyl)methoxy]-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[[1-(1-iminoethyl)-4-piperidinyl]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(1-ethanimidoylpiperidin-4-yl)methoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[(1-acetimidoyl-4-piperidyl)methoxy]-5-methyl-phenyl] ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCN(CC3)C(=N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCC3CCN(CC3)C(=N)C

InChI

InChI=1S/C21H25ClN2O4S/c1-15-11-18(27-14-17-7-9-24(10-8-17)16(2)23)13-19(12-15)28-29(25,26)21-6-4-3-5-20(21)22/h3-6,11-13,17,23H,7-10,14H2,1-2H3