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

Systemtic Name: N-(4-methoxy-3-piperazin-1-yl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methoxy-3-piperazin-1-yl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-[4-methoxy-3-(1-piperazinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methoxy-3-piperazin-1-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methoxy-3-piperazino-phenyl)-3-nitro-benzenesulfonamide Formula: C17H20N4O5S MolecularWeight: 392.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3CCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3CCNCC3

InChI

InChI=1S/C17H20N4O5S/c1-26-17-6-5-13(11-16(17)20-9-7-18-8-10-20)19-27(24,25)15-4-2-3-14(12-15)21(22)23/h2-6,11-12,18-19H,7-10H2,1H3