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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-9-10-19(20(13-16)25(27)28)23-21(26)15-22-17-7-6-8-18(14-17)31(29,30)24-11-4-2-3-5-12-24/h6-10,13-14,22H,2-5,11-12,15H2,1H3,(H,23,26)