6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C19H20N2O8S2 MolecularWeight: 468.5007

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3C(=O)O)OCCO4

InChI

InChI=1S/C19H20N2O8S2/c22-19(23)15-11-17-18(29-10-9-28-17)12-16(15)20-30(24,25)13-3-5-14(6-4-13)31(26,27)21-7-1-2-8-21/h3-6,11-12,20H,1-2,7-10H2,(H,22,23)