[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[2-(1-pyrrolidinyl)-3-pyridinyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone Traditional Name: (2-pyrrolidino-3-pyridyl)-(4-tosylpiperazino)methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-17-6-8-18(9-7-17)29(27,28)25-15-13-24(14-16-25)21(26)19-5-4-10-22-20(19)23-11-2-3-12-23/h4-10H,2-3,11-16H2,1H3