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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O4S/c1-17-7-10-20(15-22(17)31(28,29)26-13-5-3-4-6-14-26)25-23(27)18(2)30-21-11-8-19(16-24)9-12-21/h7-12,15,18H,3-6,13-14H2,1-2H3,(H,25,27)/t18-/m0/s1