N-[3-(azepan-1-yl)propyl]-2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-tosyl-anilino)acetamide Formula: C24H32BrN3O3S MolecularWeight: 522.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H32BrN3O3S/c1-20-7-13-23(14-8-20)32(30,31)28(22-11-9-21(25)10-12-22)19-24(29)26-15-6-18-27-16-4-2-3-5-17-27/h7-14H,2-6,15-19H2,1H3,(H,26,29)