3-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15-18(10-7-11-19(15)23(25)26)21-20(24)16-8-6-9-17(14-16)29(27,28)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)