N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[2-[(2,6-dimethyl-4-morpholinyl)sulfonyl]ethyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylmorpholino)sulfonylethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C20H31N3O6S2 MolecularWeight: 473.60664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)CCNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)CCNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O6S2/c1-14(2)7-9-30-19-6-5-17(11-18(19)23(25)26)20(24)21-8-10-31(27,28)22-12-15(3)29-16(4)13-22/h5-6,11,14-16H,7-10,12-13H2,1-4H3,(H,21,24)