propan-2-yl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: isopropyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid isopropyl ester Formula: C16H22ClNO4S MolecularWeight: 359.86818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO4S/c1-11(2)22-16(19)13-6-7-14(17)15(9-13)23(20,21)18-8-4-5-12(3)10-18/h6-7,9,11-12H,4-5,8,10H2,1-3H3/t12-/m0/s1