N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-2,5-dimethyl-benzenesulfonamide Formula: C23H30N4O5S MolecularWeight: 474.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H30N4O5S/c1-15-8-10-26(11-9-15)23(28)20(13-18-6-7-19(24)21(14-18)27(29)30)25-33(31,32)22-12-16(2)4-5-17(22)3/h4-7,12,14-15,20,25H,8-11,13,24H2,1-3H3