[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: (1-phenylpyrazol-4-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: (1-phenylpyrazol-4-yl)-(4-tosylpiperazino)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-17-7-9-20(10-8-17)29(27,28)24-13-11-23(12-14-24)21(26)18-15-22-25(16-18)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3