N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O7S/c1-30-19-13-17(18(24(26)27)14-20(19)31-2)21(25)22-15-7-9-16(10-8-15)32(28,29)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)