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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-tert-butyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-tert-butyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-tert-butyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-tert-butyl-N-mesyl-anilino)acetamide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3S/c1-22(2,3)19-10-12-20(13-11-19)25(29(4,27)28)18-21(26)23-14-9-17-24-15-7-5-6-8-16-24/h10-13H,5-9,14-18H2,1-4H3,(H,23,26)