N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-4-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-14-3-2-12-20(13-14)29(26,27)18-8-4-15(5-9-18)19-28(24,25)17-10-6-16(7-11-17)21(22)23/h4-11,14,19H,2-3,12-13H2,1H3