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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(2-methyl-3-nitro-phenyl)benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCCCC3

InChI

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