tert-butyl 4-[1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]-4-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-[4-(1,3-benzodioxol-5-ylsulfonyl)benzyl]-4-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H38N2O6S MolecularWeight: 542.68682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H38N2O6S/c1-29(2,3)37-28(32)31-16-12-23(13-17-31)22-10-14-30(15-11-22)19-21-4-6-24(7-5-21)38(33,34)25-8-9-26-27(18-25)36-20-35-26/h4-9,18,22-23H,10-17,19-20H2,1-3H3