N-[3-(azepan-1-yl)propyl]-2-[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(2,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-2,4-dimethoxy-anilino)acetamide Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H33N3O5S/c1-27-17-9-10-18(19(15-17)28-2)23(29(3,25)26)16-20(24)21-11-8-14-22-12-6-4-5-7-13-22/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,21,24)