(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20ClNO7S/c1-26-16-5-4-14(10-18(16)30(24,25)22-6-2-3-7-22)20(23)27-11-13-8-15(21)19-17(9-13)28-12-29-19/h4-5,8-10H,2-3,6-7,11-12H2,1H3