3-[[(2Z)-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethylidene]-3-methyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid

Systemtic Name: 3-[[(2Z)-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethylidene]-3-methyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid Openeye Name: 3-[[(2Z)-2-[2-(4-cyanophenyl)-2-oxo-ethylidene]-3-methyl-5-oxo-4,4-bis(4-pyridyl)imidazolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid CAS Name: 3-[[(2Z)-2-[2-(4-cyanophenyl)-2-oxoethylidene]-3-methyl-5-oxo-4,4-dipyridin-4-yl-1-imidazolidinyl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid IUPAC Name: 3-[[(2Z)-2-[2-(4-cyanophenyl)-2-oxoethylidene]-3-methyl-5-oxo-4,4-dipyridin-4-ylimidazolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid Traditional Name: 3-[[(2Z)-2-[2-(4-cyanophenyl)-2-keto-ethylidene]-5-keto-3-methyl-4,4-bis(4-pyridyl)imidazolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-sulfonic acid Formula: C31H30N6O5S MolecularWeight: 598.6721

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)C2=CC=C(C=C2)C#N)N(C(=O)C1(C3=CC=NC=C3)C4=CC=NC=C4)CC5CC6CCC(C5)N6S(=O)(=O)O

Isomeric SMILES

CN1/C(=C/C(=O)C2=CC=C(C=C2)C#N)/N(C(=O)C1(C3=CC=NC=C3)C4=CC=NC=C4)CC5CC6CCC(C5)N6S(=O)(=O)O

InChI

InChI=1S/C31H30N6O5S/c1-35-29(18-28(38)23-4-2-21(19-32)3-5-23)36(20-22-16-26-6-7-27(17-22)37(26)43(40,41)42)30(39)31(35,24-8-12-33-13-9-24)25-10-14-34-15-11-25/h2-5,8-15,18,22,26-27H,6-7,16-17,20H2,1H3,(H,40,41,42)/b29-18-