N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(2-methylpiperidino)sulfonylphenyl]-2-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-14-6-4-5-13-20(14)29(26,27)16-11-9-15(10-12-16)19-28(24,25)18-8-3-2-7-17(18)21(22)23/h2-3,7-12,14,19H,4-6,13H2,1H3