2-bromanyl-N-[2-(2-methylpropanoylamino)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[2-(2-methylpropanoylamino)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[2-(2-methylpropanoylamino)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[2-(2-methylpropanoylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[2-(isobutyrylamino)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C17H24BrN3O4S MolecularWeight: 446.35916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C17H24BrN3O4S/c1-12(2)16(22)19-7-8-20-17(23)14-11-13(5-6-15(14)18)26(24,25)21-9-3-4-10-21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)