3-chloranyl-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-(1-methylsulfonyl-4-piperidyl)-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-(1-methylsulfonyl-4-piperidinyl)-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(1-mesyl-4-piperidyl)-4-methyl-5-nitro-benzenesulfonamide Formula: C13H18ClN3O6S2 MolecularWeight: 411.88152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2CCN(CC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H18ClN3O6S2/c1-9-12(14)7-11(8-13(9)17(18)19)25(22,23)15-10-3-5-16(6-4-10)24(2,20)21/h7-8,10,15H,3-6H2,1-2H3