N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-7-9-17(14-20(15)31(28,29)23-11-5-3-4-6-12-23)22-21(25)16-8-10-19(30-2)18(13-16)24(26)27/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)