tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[4-(4-methylsulfonylphenyl)-1-piperazinyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-(4-mesylphenyl)piperazino]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H39N3O4S/c1-24(2,3)31-23(28)27-14-11-20(12-15-27)6-5-13-25-16-18-26(19-17-25)21-7-9-22(10-8-21)32(4,29)30/h7-10,20H,5-6,11-19H2,1-4H3