[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-piperidin-2-yl]methyl pyrrolidine-1-carboxylate

Systemtic Name: [(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-piperidin-2-yl]methyl pyrrolidine-1-carboxylate Openeye Name: [(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidyl]methyl pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic acid [(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidinyl]methyl ester IUPAC Name: [(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-methyl-2-piperidyl]methyl ester Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)N3CCCC3

Isomeric SMILES

C[C@@H]1CCC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)N3CCCC3

InChI

InChI=1S/C18H25ClN2O4S/c1-14-5-4-6-16(13-25-18(22)20-11-2-3-12-20)21(14)26(23,24)17-9-7-15(19)8-10-17/h7-10,14,16H,2-6,11-13H2,1H3/t14-,16+/m1/s1