1-(4-methylphenyl)sulfonyl-4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(p-tolylsulfonyl)piperidine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[4-methyl-5-[2-(1-pyrrolidinyl)ethylthio]-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Traditional Name: 4-[4-methyl-5-(2-pyrrolidinoethylthio)-1,2,4-triazol-3-yl]-1-tosyl-piperidine Formula: C21H31N5O2S2 MolecularWeight: 449.63314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(N3C)SCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NN=C(N3C)SCCN4CCCC4

InChI

InChI=1S/C21H31N5O2S2/c1-17-5-7-19(8-6-17)30(27,28)26-13-9-18(10-14-26)20-22-23-21(24(20)2)29-16-15-25-11-3-4-12-25/h5-8,18H,3-4,9-16H2,1-2H3