4-butoxy-N-(2-pyrrolidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: 4-butoxy-N-(2-pyrrolidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: 4-butoxy-N-(1-methyl-2-sulfanyl-ethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-butoxy-N-(1-mercaptopropan-2-yl)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-(2-pyrrolidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: 4-butoxy-N-(2-mercapto-1-methyl-ethyl)-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C19H32N2O3S2 MolecularWeight: 400.59898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCC2)C(C)CS

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCC2)C(C)CS

InChI

InChI=1S/C19H32N2O3S2/c1-3-4-15-24-18-7-9-19(10-8-18)26(22,23)21(17(2)16-25)14-13-20-11-5-6-12-20/h7-10,17,25H,3-6,11-16H2,1-2H3