N-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-chroman-4-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-chroman-4-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCOC4=CC=CC=C34

InChI

InChI=1S/C22H25N3O6S/c1-15-6-7-17(25(27)28)14-21(15)32(29,30)24-11-8-16(9-12-24)22(26)23-19-10-13-31-20-5-3-2-4-18(19)20/h2-7,14,16,19H,8-13H2,1H3,(H,23,26)