N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C21H22ClN3O6S2 MolecularWeight: 511.99888

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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-])Cl

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-])Cl

InChI

InChI=1S/C21H22ClN3O6S2/c1-21(2,3)11-8-14(18(31-4)15(9-11)24-33(5,29)30)23-20(26)17-10-12-13(22)6-7-16(25(27)28)19(12)32-17/h6-10,24H,1-5H3,(H,23,26)