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

Systemtic Name: 1,3-benzodioxol-5-yl 5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 5-methyl-4-pyrrolidinosulfonyl-thiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C17H17NO6S2/c1-11-16(26(20,21)18-6-2-3-7-18)9-15(25-11)17(19)24-12-4-5-13-14(8-12)23-10-22-13/h4-5,8-9H,2-3,6-7,10H2,1H3