propan-2-yl 4-[[4-(4-methylsulfonylphenyl)phenyl]sulfanylmethyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-(4-methylsulfonylphenyl)phenyl]sulfanylmethyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[4-(4-methylsulfonylphenyl)phenyl]sulfanylmethyl]piperidine-1-carboxylate CAS Name: 4-[[[4-(4-methylsulfonylphenyl)phenyl]thio]methyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(4-methylsulfonylphenyl)phenyl]sulfanylmethyl]piperidine-1-carboxylate Traditional Name: 4-[[[4-(4-mesylphenyl)phenyl]thio]methyl]piperidine-1-carboxylic acid isopropyl ester Formula: C23H29NO4S2 MolecularWeight: 447.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CSC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)CSC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29NO4S2/c1-17(2)28-23(25)24-14-12-18(13-15-24)16-29-21-8-4-19(5-9-21)20-6-10-22(11-7-20)30(3,26)27/h4-11,17-18H,12-16H2,1-3H3