5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonyl-3-thenoic acid Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)C

InChI

InChI=1S/C18H27N3O5S2/c1-13-7-14(2)10-20(9-13)16(22)11-19-3-5-21(6-4-19)28(25,26)17-8-15(12-27-17)18(23)24/h8,12-14H,3-7,9-11H2,1-2H3,(H,23,24)