cyanomethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid cyanomethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-12-5-6-13(15(18)21-10-7-16)11-14(12)22(19,20)17-8-3-2-4-9-17/h5-6,11H,2-4,8-10H2,1H3