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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)S(=O)(=O)N3CCCCCC3

InChI

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