(4-cyanophenyl)methyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (4-cyanophenyl)methyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid (4-cyanobenzyl) ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-15-3-2-10-24(13-15)29(26,27)20-11-18(8-9-19(20)22)21(25)28-14-17-6-4-16(12-23)5-7-17/h4-9,11,15H,2-3,10,13-14H2,1H3/t15-/m0/s1