N-[[(3R)-1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-(4-methylsulfonylphenyl)sulfonyl-3-piperidyl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-(4-methylsulfonylphenyl)sulfonyl-3-piperidinyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(4-mesylphenyl)sulfonyl-3-piperidyl]methyl]thiophene-2-carboxamide Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O5S3/c1-27(22,23)15-6-8-16(9-7-15)28(24,25)20-10-2-4-14(13-20)12-19-18(21)17-5-3-11-26-17/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1