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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N4O6S/c1-31-20-14-17(25(27)28)8-11-19(20)23-21(26)15-22-16-6-9-18(10-7-16)32(29,30)24-12-4-2-3-5-13-24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,26)