2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[4-(4-sec-butylphenyl)sulfonylpiperazino]ethanone Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O3S/c1-3-23(2)26-9-11-27(12-10-26)35(33,34)31-19-17-29(18-20-31)22-28(32)30-15-13-25(14-16-30)21-24-7-5-4-6-8-24/h4-12,23,25H,3,13-22H2,1-2H3