N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-oxidanylidenebutyl)phenoxy]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-oxidanylidenebutyl)phenoxy]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-ketobutyl)phenoxy]acetamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)CCC(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)CCC(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H32N2O5S/c1-19-7-12-22(17-24(19)33(30,31)27-15-5-3-4-6-16-27)26-25(29)18-32-23-13-10-21(11-14-23)9-8-20(2)28/h7,10-14,17H,3-6,8-9,15-16,18H2,1-2H3,(H,26,29)