tert-butyl 4-[2-[2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[2,6-dimethyl-4-(4-methylsulfonylphenyl)-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(4-mesylphenyl)-2,6-dimethyl-piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H41N3O4S MolecularWeight: 479.67574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CCC2CCN(CC2)C(=O)OC(C)(C)C)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CN(CC(N1CCC2CCN(CC2)C(=O)OC(C)(C)C)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H41N3O4S/c1-19-17-27(22-7-9-23(10-8-22)33(6,30)31)18-20(2)28(19)16-13-21-11-14-26(15-12-21)24(29)32-25(3,4)5/h7-10,19-21H,11-18H2,1-6H3