N-[3-(azepan-1-yl)propyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-3,5-dimethyl-anilino)acetamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)C

InChI

InChI=1S/C20H33N3O3S/c1-17-13-18(2)15-19(14-17)23(27(3,25)26)16-20(24)21-9-8-12-22-10-6-4-5-7-11-22/h13-15H,4-12,16H2,1-3H3,(H,21,24)