1-methyl-4-[2-nitro-3-(phenylsulfonylmethyl)phenyl]piperazine

Systemtic Name: 1-methyl-4-[2-nitro-3-(phenylsulfonylmethyl)phenyl]piperazine Openeye Name: 1-[3-(benzenesulfonylmethyl)-2-nitro-phenyl]-4-methyl-piperazine CAS Name: 1-[3-(benzenesulfonylmethyl)-2-nitrophenyl]-4-methylpiperazine IUPAC Name: 1-[3-(benzenesulfonylmethyl)-2-nitrophenyl]-4-methylpiperazine Traditional Name: 1-[3-(besylmethyl)-2-nitro-phenyl]-4-methyl-piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-19-10-12-20(13-11-19)17-9-5-6-15(18(17)21(22)23)14-26(24,25)16-7-3-2-4-8-16/h2-9H,10-14H2,1H3