3-cyanopropyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCCC#N

InChI

InChI=1S/C17H22N2O4S/c1-14-7-8-15(24(21,22)19-10-4-2-5-11-19)13-16(14)17(20)23-12-6-3-9-18/h7-8,13H,2-6,10-12H2,1H3