1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c1-19-8-9-20(2)23(16-19)32(30,31)27-14-12-26(13-15-27)24(29)11-10-21-17-25-28(18-21)22-6-4-3-5-7-22/h3-9,16-18H,10-15H2,1-2H3