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

Systemtic Name: 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]sulfonyl-4-methoxy-benzoic acid Formula: C21H31N3O6S MolecularWeight: 453.55234

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-15-10-16(2)13-23(12-15)20(25)14-22-6-8-24(9-7-22)31(28,29)19-11-17(21(26)27)4-5-18(19)30-3/h4-5,11,15-16H,6-10,12-14H2,1-3H3,(H,26,27)