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

Systemtic Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonylbenzoic acid Formula: C20H29N3O5S MolecularWeight: 423.52636

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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(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-15-11-16(2)13-22(12-15)19(24)14-21-7-9-23(10-8-21)29(27,28)18-5-3-17(4-6-18)20(25)26/h3-6,15-16H,7-14H2,1-2H3,(H,25,26)