N-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CSC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CSC=C5

InChI

InChI=1S/C23H22N2O5S2/c26-23(25-10-1-2-20(25)17-9-13-31-15-17)16-3-5-18(6-4-16)24-32(27,28)19-7-8-21-22(14-19)30-12-11-29-21/h3-9,13-15,20,24H,1-2,10-12H2