cyanomethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: cyanomethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: cyanomethyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid cyanomethyl ester Formula: C15H17ClN2O4S MolecularWeight: 356.82448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Cl

InChI

InChI=1S/C15H17ClN2O4S/c1-11-3-2-7-18(10-11)23(20,21)14-9-12(4-5-13(14)16)15(19)22-8-6-17/h4-5,9,11H,2-3,7-8,10H2,1H3