(phenylmethyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (phenylmethyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: benzyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid benzyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23NO4S/c1-16-10-11-18(20(22)25-15-17-8-4-2-5-9-17)14-19(16)26(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3