1-cyanoethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-cyanoethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-cyanoethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 1-cyanoethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-12-6-7-14(10-15(12)16(19)22-13(2)11-17)23(20,21)18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9H2,1-2H3