1,3-benzodioxol-5-yl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H18N2O6S/c1-18-10-13(26(21,22)19-6-2-3-7-19)9-14(18)17(20)25-12-4-5-15-16(8-12)24-11-23-15/h4-5,8-10H,2-3,6-7,11H2,1H3