N-[3-(azepan-1-yl)propyl]-2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-bromo-N-mesyl-3-methyl-anilino)acetamide Formula: C19H30BrN3O3S MolecularWeight: 460.4288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30BrN3O3S/c1-16-14-17(8-9-18(16)20)23(27(2,25)26)15-19(24)21-10-7-13-22-11-5-3-4-6-12-22/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,21,24)