N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide Formula: C21H23F2N3O7S MolecularWeight: 499.485026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C21H23F2N3O7S/c1-32-18-12-16(17(26(28)29)13-19(18)33-21(22)23)20(27)24-14-6-8-15(9-7-14)34(30,31)25-10-4-2-3-5-11-25/h6-9,12-13,21H,2-5,10-11H2,1H3,(H,24,27)