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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-4-methyl-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)F

InChI

InChI=1S/C21H25FN2O4S/c1-15-7-8-16(13-18(15)22)21(25)23-19-14-17(9-10-20(19)28-2)29(26,27)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)