N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-4-methoxy-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-4-methoxy-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-4-methoxy-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-fluoro-4-methoxybenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-fluoro-4-methoxybenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-4-methoxy-benzamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O5S/c1-28-19-9-7-15(13-17(19)22)21(25)23-18-14-16(8-10-20(18)29-2)30(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)