6-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[4-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[4-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]anilino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[4-[(3R,5S)-3,5-dimethylpiperidino]sulfonylphenyl]carbamoyl]pyridazin-3-olate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C=C3)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C=C3)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-12-9-13(2)11-22(10-12)27(25,26)15-5-3-14(4-6-15)19-18(24)16-7-8-17(23)21-20-16/h3-8,12-13H,9-11H2,1-2H3,(H,19,24)(H,21,23)/p-1/t12-,13+