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

Systemtic Name: tert-butyl 4-[4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]-1-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(3-chlorophenyl)sulfonylbenzyl]piperidino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37ClN2O4S MolecularWeight: 537.107464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1[14CH2]CC(C[14CH2]1)N2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H37ClN2O4S/c1-28(2,3)35-27(32)31-17-13-24(14-18-31)30-15-11-22(12-16-30)19-21-7-9-25(10-8-21)36(33,34)26-6-4-5-23(29)20-26/h4-10,20,22,24H,11-19H2,1-3H3/i17+2,18+2