tert-butyl 4-[(3R)-3-methyl-4-[[6-(3-methylphenyl)sulfonylpyridin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R)-3-methyl-4-[[6-(3-methylphenyl)sulfonylpyridin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-3-methyl-4-[[6-(m-tolylsulfonyl)-3-pyridyl]methyl]piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3R)-3-methyl-4-[[6-(3-methylphenyl)sulfonyl-3-pyridinyl]methyl]-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R)-3-methyl-4-[[6-(3-methylphenyl)sulfonylpyridin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R)-3-methyl-4-[[6-(m-tolylsulfonyl)-3-pyridyl]methyl]piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H40N4O4S MolecularWeight: 528.7066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CN=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(CCN1CC2=CN=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H40N4O4S/c1-21-7-6-8-25(17-21)37(34,35)26-10-9-23(18-29-26)20-31-15-16-32(19-22(31)2)24-11-13-30(14-12-24)27(33)36-28(3,4)5/h6-10,17-18,22,24H,11-16,19-20H2,1-5H3/t22-/m1/s1