methyl 3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[(3S)-3-methyl-4-(m-tolyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c1-13-5-4-6-15(11-13)20-9-8-19(12-14(20)2)26(22,23)16-7-10-25-17(16)18(21)24-3/h4-7,10-11,14H,8-9,12H2,1-3H3/t14-/m0/s1