1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine

Systemtic Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Openeye Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine CAS Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]piperazine IUPAC Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazine Traditional Name: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]piperazine Formula: C21H21Cl2N5O4S MolecularWeight: 510.39354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H21Cl2N5O4S/c1-14-11-15(2)27(24-14)21-12-16(3-6-20(21)28(29)30)25-7-9-26(10-8-25)33(31,32)17-4-5-18(22)19(23)13-17/h3-6,11-13H,7-10H2,1-2H3