1-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-4-phenyl-piperazine

Systemtic Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-4-phenyl-piperazine Openeye Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-4-phenyl-piperazine CAS Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonyl-4-phenylpiperazine IUPAC Name: 1-(3,4-dimethyl-5-nitrophenyl)sulfonyl-4-phenylpiperazine Traditional Name: 1-(3,4-dimethyl-5-nitro-phenyl)sulfonyl-4-phenyl-piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-14-12-17(13-18(15(14)2)21(22)23)26(24,25)20-10-8-19(9-11-20)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3