N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-cyanophenoxy)propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O4S/c1-17-11-12-20(15-22(17)31(28,29)26-13-7-3-4-8-14-26)25-23(27)18(2)30-21-10-6-5-9-19(21)16-24/h5-6,9-12,15,18H,3-4,7-8,13-14H2,1-2H3,(H,25,27)