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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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