2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 1-(1-piperidyl)-2-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 1-piperidino-2-[4-(4-sec-butylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCC3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-4-18(2)20-8-10-21(11-9-20)29(27,28)25-16-14-23(15-17-25)19(3)22(26)24-12-6-5-7-13-24/h8-11,18-19H,4-7,12-17H2,1-3H3