(2,3,6-trimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-16-6-7-17(2)22(18(16)3)27-21(24)13-10-19-8-11-20(12-9-19)28(25,26)23-14-4-5-15-23/h6-9,11-12H,4-5,10,13-15H2,1-3H3