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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N5O5S/c1-17-6-8-19(15-22(17)34(32,33)27-11-4-2-3-5-12-27)25-23(29)18-7-9-20(21(14-18)28(30)31)26-13-10-24-16-26/h6-10,13-16H,2-5,11-12H2,1H3,(H,25,29)