2-[3-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[3-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-methyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1-thiophen-2-ylethanone Traditional Name: 2-(3-methyl-1-tosyl-pyrrolidin-3-yl)-1-(2-thienyl)ethanone Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)(C)CC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)(C)CC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21NO3S2/c1-14-5-7-15(8-6-14)24(21,22)19-10-9-18(2,13-19)12-16(20)17-4-3-11-23-17/h3-8,11H,9-10,12-13H2,1-2H3