N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-pyrrolidino-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CSC=C4

Isomeric SMILES

C1CCN(C1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CSC=C4

InChI

InChI=1S/C18H22N2O4S2/c21-26(22,15-3-4-17-18(11-15)24-9-8-23-17)19-12-16(14-5-10-25-13-14)20-6-1-2-7-20/h3-5,10-11,13,16,19H,1-2,6-9,12H2/t16-/m1/s1