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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-methoxy-5-nitrophenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitrophenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O6S/c1-29-19-11-8-16(23(25)26)14-18(19)21-20(24)15-6-9-17(10-7-15)30(27,28)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)