N-(2-methyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C23H29N3O5S/c1-14-13-15(2)17(4)22(16(14)3)32(30,31)25-11-9-19(10-12-25)23(27)24-20-7-6-8-21(18(20)5)26(28)29/h6-8,13,19H,9-12H2,1-5H3,(H,24,27)