N-[3-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-(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(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC(=CC=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)22-15-8-7-9-16(12-15)32(28,29)23-10-5-3-4-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,22,25)