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

Systemtic Name: 4-chloranyl-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonyl-benzoic acid Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O5S/c1-14-9-15(2)12-23(11-14)19(25)13-22-5-7-24(8-6-22)30(28,29)18-10-16(20(26)27)3-4-17(18)21/h3-4,10,14-15H,5-9,11-13H2,1-2H3,(H,26,27)