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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-15-8-9-16(12-21(15)33(29,30)24-10-6-4-5-7-11-24)23-22(26)17-13-19(31-2)20(32-3)14-18(17)25(27)28/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,23,26)