N-[4-(azepan-1-yl)phenyl]-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(N-mesyl-2-methyl-anilino)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-18-9-5-6-10-21(18)25(29(2,27)28)17-22(26)23-19-11-13-20(14-12-19)24-15-7-3-4-8-16-24/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,23,26)