(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H21ClN2O7S/c1-21-11-14(30(24,25)22-2-4-26-5-3-22)10-16(21)19(23)29-12-13-8-15(20)18-17(9-13)27-6-7-28-18/h8-11H,2-7,12H2,1H3