N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-nitro-benzothiophene-2-carboxamide Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC3=C(C=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC3=C(C=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S2/c1-21(2,3)12-9-14(19(30-4)15(10-12)23-32(5,28)29)22-20(25)18-11-13-16(24(26)27)7-6-8-17(13)31-18/h6-11,23H,1-5H3,(H,22,25)