N-(phenylmethyl)-N-(1-sulfanylpropan-2-yl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-(phenylmethyl)-N-(1-sulfanylpropan-2-yl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-benzyl-N-(1-methyl-2-sulfanyl-ethyl)-1,3-benzodioxole-5-sulfonamide CAS Name: N-(1-mercaptopropan-2-yl)-N-(phenylmethyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-benzyl-N-(1-sulfanylpropan-2-yl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-benzyl-N-(2-mercapto-1-methyl-ethyl)-1,3-benzodioxole-5-sulfonamide Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO4S2/c1-13(11-23)18(10-14-5-3-2-4-6-14)24(19,20)15-7-8-16-17(9-15)22-12-21-16/h2-9,13,23H,10-12H2,1H3