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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzamide Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzamide CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]benzamide IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]benzamide Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c20-19(23)14-5-7-15(8-6-14)28-18-10-9-16(13-17(18)22(24)25)29(26,27)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12H2,(H2,20,23)