N-methyl-3-nitro-4-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[4-(3-oxo-1-piperazinyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]benzenesulfonamide Traditional Name: 4-[[4-(3-ketopiperazino)benzyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H21N5O5S MolecularWeight: 419.45484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-19-29(27,28)15-6-7-16(17(10-15)23(25)26)21-11-13-2-4-14(5-3-13)22-9-8-20-18(24)12-22/h2-7,10,19,21H,8-9,11-12H2,1H3,(H,20,24)