cyanomethyl 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: cyanomethyl 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: cyanomethyl 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid cyanomethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC#N)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC#N)Cl

InChI

InChI=1S/C21H21ClN2O4S/c22-19-7-6-18(21(25)28-13-10-23)15-20(19)29(26,27)24-11-8-17(9-12-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-9,11-14H2