2-[(3-bromanyl-2-methylsulfonyl-phenyl)amino]-N-butyl-ethanamide

Systemtic Name: 2-[(3-bromanyl-2-methylsulfonyl-phenyl)amino]-N-butyl-ethanamide Openeye Name: 2-(3-bromo-2-methylsulfonyl-anilino)-N-butyl-acetamide CAS Name: 2-(3-bromo-2-methylsulfonylanilino)-N-butylacetamide IUPAC Name: 2-(3-bromo-2-methylsulfonylanilino)-N-butylacetamide Traditional Name: 2-(3-bromo-2-mesyl-anilino)-N-butyl-acetamide Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CNC1=C(C(=CC=C1)Br)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)CNC1=C(C(=CC=C1)Br)S(=O)(=O)C

InChI

InChI=1S/C13H19BrN2O3S/c1-3-4-8-15-12(17)9-16-11-7-5-6-10(14)13(11)20(2,18)19/h5-7,16H,3-4,8-9H2,1-2H3,(H,15,17)