(3,4-dimethylphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)C

Isomeric SMILES

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

InChI

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