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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenyl)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-7-10-19(23-22(25)15-18-8-11-20(28-2)12-9-18)16-21(17)29(26,27)24-13-5-3-4-6-14-24/h7-12,16H,3-6,13-15H2,1-2H3,(H,23,25)