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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-methylsulfanylphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methylsulfanylanilino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[2-(methylthio)anilino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-methylsulfanylanilino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(methylthio)anilino]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2SC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC=C2SC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-17-11-12-18(15-21(17)30(27,28)25-13-7-3-4-8-14-25)24-22(26)16-23-19-9-5-6-10-20(19)29-2/h5-6,9-12,15,23H,3-4,7-8,13-14,16H2,1-2H3,(H,24,26)