(3,4-dimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3,4-dimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3,4-dimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (3,4-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16-5-9-19(15-17(16)2)26-21(23)12-8-18-6-10-20(11-7-18)27(24,25)22-13-3-4-14-22/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3