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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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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-])OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-14-12-15(2)17(4)22(16(14)3)33(30,31)25-10-8-18(9-11-25)23(27)24-20-13-19(26(28)29)6-7-21(20)32-5/h6-7,12-13,18H,8-11H2,1-5H3,(H,24,27)