4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-N-methyl-benzamide

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-N-methyl-benzamide Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-N-methyl-benzamide CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-N-methylbenzamide IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-N-methylbenzamide Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-N-methyl-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-21-20(24)15-6-8-16(9-7-15)29-19-11-10-17(14-18(19)23(25)26)30(27,28)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)