(3,4-dimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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