N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H27N3O5S/c1-14-12-15(2)21(16(3)13-14)31(29,30)24-10-8-18(9-11-24)22(26)23-19-6-5-7-20(17(19)4)25(27)28/h5-7,12-13,18H,8-11H2,1-4H3,(H,23,26)