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

Systemtic Name: 4-azanyl-N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]benzothiophene-2-carboxamide CAS Name: 4-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]benzothiophene-2-carboxamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC3=C(C=CC=C3S2)N

InChI

InChI=1S/C21H25N3O4S2/c1-21(2,3)12-9-15(19(28-4)16(10-12)24-30(5,26)27)23-20(25)18-11-13-14(22)7-6-8-17(13)29-18/h6-11,24H,22H2,1-5H3,(H,23,25)