2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-16-7-8-17(13-20(16)26(28)29)24-22(27)15-23-19-14-18(9-10-21(19)32-2)33(30,31)25-11-5-3-4-6-12-25/h7-10,13-14,23H,3-6,11-12,15H2,1-2H3,(H,24,27)