[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-[4-(p-tolylsulfonylmethyl)phenyl]methanone CAS Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-[4-(tosylmethyl)phenyl]methanone Formula: C25H25N3O5S MolecularWeight: 479.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-19-6-12-22(13-7-19)34(32,33)18-20-8-10-21(11-9-20)25(29)27-16-14-26(15-17-27)23-4-2-3-5-24(23)28(30)31/h2-13H,14-18H2,1H3