phenacyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: phenacyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenacyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid phenacyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S/c1-16-10-11-18(14-20(16)28(25,26)22-12-6-3-7-13-22)21(24)27-15-19(23)17-8-4-2-5-9-17/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3