(2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-azepane

Systemtic Name: (2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-azepane Openeye Name: (2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-azepane CAS Name: (2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)sulfonylazepane IUPAC Name: (2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)sulfonylazepane Traditional Name: (2R)-2-(4-methoxyphenyl)-1-(4-methyl-3-nitro-phenyl)sulfonyl-azepane Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-15-7-12-18(14-20(15)22(23)24)28(25,26)21-13-5-3-4-6-19(21)16-8-10-17(27-2)11-9-16/h7-12,14,19H,3-6,13H2,1-2H3/t19-/m1/s1