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

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-[(4-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-[(4-nitrobenzoyl)amino]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-[(4-nitrobenzoyl)amino]benzothiophene-2-carboxamide Formula: C28H28N4O7S2 MolecularWeight: 596.67452

Click to see the large picture

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)NC(=O)C4=CC=C(C=C4)[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)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O7S2/c1-28(2,3)17-13-21(25(39-4)22(14-17)31-41(5,37)38)30-27(34)24-15-19-20(7-6-8-23(19)40-24)29-26(33)16-9-11-18(12-10-16)32(35)36/h6-15,31H,1-5H3,(H,29,33)(H,30,34)