N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-benzamide CAS Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-benzamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)NS(=O)(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S2/c1-13(2)9-10-30-19-8-5-14(11-17(19)23(25)26)20(24)21-15-6-7-16(18(12-15)29-3)22-31(4,27)28/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,24)