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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-methoxy-5-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-nitrophenyl)benzamide Traditional Name: 3-(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(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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