[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25NO6S/c1-28-22(25)16-18-4-9-19(10-5-18)29-21(24)13-8-17-6-11-20(12-7-17)30(26,27)23-14-2-3-15-23/h4-7,9-12H,2-3,8,13-16H2,1H3