[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H30N2O5S/c1-16-7-6-10-22(14-16)20(24)15-28-21(25)19-13-18(9-8-17(19)2)29(26,27)23-11-4-3-5-12-23/h8-9,13,16H,3-7,10-12,14-15H2,1-2H3