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

Systemtic Name: (3-methoxycarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-methoxycarbonylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-methoxycarbonylphenyl) ester IUPAC Name: (3-methoxycarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-carbomethoxyphenyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO6S/c1-15-9-10-17(14-19(15)29(25,26)22-11-4-3-5-12-22)21(24)28-18-8-6-7-16(13-18)20(23)27-2/h6-10,13-14H,3-5,11-12H2,1-2H3