4-(azepan-1-ylsulfonyl)-N-(2,6-dimethyl-3-nitro-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,6-dimethyl-3-nitro-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,6-dimethyl-3-nitro-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,6-dimethyl-3-nitrophenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,6-dimethyl-3-nitrophenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,6-dimethyl-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)[N+](=O)[O-])C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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