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

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid 3-cyanopropyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4S/c1-13-5-4-9-20(12-13)25(22,23)16-11-14(6-7-15(16)18)17(21)24-10-3-2-8-19/h6-7,11,13H,2-5,9-10,12H2,1H3/t13-/m0/s1