5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methyl-5-nitro-phenyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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