(3,4-dimethylphenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: (3,4-dimethylphenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: (3,4-dimethylphenyl) 2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetate CAS Name: 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]acetic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-pyrrolidinosulfonyl-2-thienyl)acetic acid (3,4-dimethylphenyl) ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H21NO4S2/c1-13-5-6-15(11-14(13)2)23-17(20)12-16-7-8-18(24-16)25(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10,12H2,1-2H3