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

Systemtic Name: (2-methoxycarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxycarbonylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxycarbonylphenyl) ester IUPAC Name: (2-methoxycarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-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=C2C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO6S/c1-15-10-11-16(14-19(15)29(25,26)22-12-6-3-7-13-22)20(23)28-18-9-5-4-8-17(18)21(24)27-2/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3