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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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