(2,3,6-trimethylphenyl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-15-10-11-16(2)20(17(15)3)26-21(23)18-8-7-9-19(14-18)27(24,25)22-12-5-4-6-13-22/h7-11,14H,4-6,12-13H2,1-3H3