1-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione

Systemtic Name: 1-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-yl-pentane-1,5-dione Openeye Name: 1-[4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]-1-piperidyl]-5-(2-thienyl)pentane-1,5-dione CAS Name: 1-[4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-piperidinyl]-5-thiophen-2-ylpentane-1,5-dione IUPAC Name: 1-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-5-thiophen-2-ylpentane-1,5-dione Traditional Name: 1-(2-thienyl)-5-[4-[1-(2-tosylethyl)imidazol-2-yl]piperidino]pentane-1,5-dione Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)CCCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)CCCC(=O)C4=CC=CS4

InChI

InChI=1S/C26H31N3O4S2/c1-20-7-9-22(10-8-20)35(32,33)19-17-29-16-13-27-26(29)21-11-14-28(15-12-21)25(31)6-2-4-23(30)24-5-3-18-34-24/h3,5,7-10,13,16,18,21H,2,4,6,11-12,14-15,17,19H2,1H3