3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methyl-3-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methyl-3-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-7-9-17(14-18(15)24(26)27)22-21(25)16-8-10-19(30-2)20(13-16)31(28,29)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)