N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxy-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxy-2-nitro-phenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxy-2-nitro-phenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-methoxy-2-nitrophenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methoxy-2-nitrophenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxy-2-nitro-phenoxy)acetamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O7S/c1-16-7-8-17(13-21(16)33(29,30)24-11-5-3-4-6-12-24)23-22(26)15-32-20-10-9-18(31-2)14-19(20)25(27)28/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,23,26)