2-bromanyl-N-heptan-2-yl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-heptan-2-yl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(1-methylhexyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-heptan-2-yl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-heptan-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(1-methylhexyl)-5-pyrrolidinosulfonyl-benzamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C18H27BrN2O3S/c1-3-4-5-8-14(2)20-18(22)16-13-15(9-10-17(16)19)25(23,24)21-11-6-7-12-21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,22)