tert-butyl 4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-chlorophenyl)sulfonylbenzyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H28ClNO4S MolecularWeight: 449.99072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H28ClNO4S/c1-23(2,3)29-22(26)25-13-11-18(12-14-25)15-17-7-9-20(10-8-17)30(27,28)21-6-4-5-19(24)16-21/h4-10,16,18H,11-15H2,1-3H3