N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-3,4-dimethyl-5-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-3,4-dimethyl-5-nitro-benzamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-3,4-dimethyl-5-nitro-benzamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3,4-dimethyl-5-nitrobenzamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3,4-dimethyl-5-nitrobenzamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-3,4-dimethyl-5-nitro-benzamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC2=C(C(=CC(=C2)C(C)(C)C)NS(=O)(=O)C)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H27N3O6S/c1-12-8-14(9-18(13(12)2)24(26)27)20(25)22-16-10-15(21(3,4)5)11-17(19(16)30-6)23-31(7,28)29/h8-11,23H,1-7H3,(H,22,25)