methyl 4-fluoranyl-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-fluoranyl-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-fluoro-3-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[(3S)-3-methyl-4-(m-tolyl)piperazino]sulfonyl-benzothiophene-2-carboxylic acid methyl ester Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(SC4=CC=CC(=C43)F)C(=O)OC

InChI

InChI=1S/C22H23FN2O4S2/c1-14-6-4-7-16(12-14)25-11-10-24(13-15(25)2)31(27,28)21-19-17(23)8-5-9-18(19)30-20(21)22(26)29-3/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1