N,N-diethyl-3-[5-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C26H33N5O3S2 MolecularWeight: 527.70192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4C

InChI

InChI=1S/C26H33N5O3S2/c1-4-29(5-2)36(33,34)23-16-11-13-21(18-23)25-27-28-26(31(25)22-14-7-6-8-15-22)35-19-24(32)30-17-10-9-12-20(30)3/h6-8,11,13-16,18,20H,4-5,9-10,12,17,19H2,1-3H3