tert-butyl 4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: tert-butyl 1-benzyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonyl-piperidine-4-carboxylate CAS Name: 4-[[4-(4-pentylphenyl)-1-piperazinyl]sulfonyl]-1-(phenylmethyl)-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-[4-(4-amylphenyl)piperazino]sulfonyl-1-benzyl-isonipecotic acid tert-butyl ester Formula: C32H47N3O4S MolecularWeight: 569.79828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H47N3O4S/c1-5-6-8-11-27-14-16-29(17-15-27)34-22-24-35(25-23-34)40(37,38)32(30(36)39-31(2,3)4)18-20-33(21-19-32)26-28-12-9-7-10-13-28/h7,9-10,12-17H,5-6,8,11,18-26H2,1-4H3