4-methoxy-N-(2-methyl-5-nitro-phenyl)-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: 4-methoxy-N-(2-methyl-5-nitro-phenyl)-3-piperazin-1-yl-benzenesulfonamide Openeye Name: 4-methoxy-N-(2-methyl-5-nitro-phenyl)-3-piperazin-1-yl-benzenesulfonamide CAS Name: 4-methoxy-N-(2-methyl-5-nitrophenyl)-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: 4-methoxy-N-(2-methyl-5-nitrophenyl)-3-piperazin-1-ylbenzenesulfonamide Traditional Name: 4-methoxy-N-(2-methyl-5-nitro-phenyl)-3-piperazino-benzenesulfonamide Formula: C18H22N4O5S MolecularWeight: 406.45608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3

InChI

InChI=1S/C18H22N4O5S/c1-13-3-4-14(22(23)24)11-16(13)20-28(25,26)15-5-6-18(27-2)17(12-15)21-9-7-19-8-10-21/h3-6,11-12,19-20H,7-10H2,1-2H3