4-(azepan-1-ylsulfonyl)-N-(2,4-dimethyl-5-nitro-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethyl-5-nitro-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethyl-5-nitro-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,4-dimethyl-5-nitrophenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethyl-5-nitrophenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethyl-5-nitro-phenyl)benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S/c1-15-13-16(2)20(24(26)27)14-19(15)22-21(25)17-7-9-18(10-8-17)30(28,29)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)