phenacyl 2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: phenacyl 2-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-methylpiperidino)sulfonyl-benzoic acid phenacyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO5S/c1-15-9-11-23(12-10-15)29(26,27)17-7-8-19(22)18(13-17)21(25)28-14-20(24)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3