4-bromanyl-N-butyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-butyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide Openeye Name: 4-bromo-N-butyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide CAS Name: 4-bromo-N-butyl-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-butyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide Traditional Name: 4-bromo-N-butyl-2-[(2S)-2-methylolpyrrolidino]benzenesulfonamide Formula: C15H23BrN2O3S MolecularWeight: 391.32372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=C(C=C(C=C1)Br)N2CCCC2CO

Isomeric SMILES

CCCCNS(=O)(=O)C1=C(C=C(C=C1)Br)N2CCC[C@H]2CO

InChI

InChI=1S/C15H23BrN2O3S/c1-2-3-8-17-22(20,21)15-7-6-12(16)10-14(15)18-9-4-5-13(18)11-19/h6-7,10,13,17,19H,2-5,8-9,11H2,1H3/t13-/m0/s1