N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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