5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonyl-2-methyl-benzoic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-15-10-16(2)13-23(12-15)20(25)14-22-6-8-24(9-7-22)30(28,29)18-5-4-17(3)19(11-18)21(26)27/h4-5,11,15-16H,6-10,12-14H2,1-3H3,(H,26,27)