N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-cyclopropyl-5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-cyclopropyl-5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC(=C[N+](=C4)[O-])C(=O)NC5CC5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC(=C[N+](=C4)[O-])C(=O)NC5CC5)S(=O)(=O)C

InChI

InChI=1S/C28H27N3O4S/c1-28(2,36(3,34)35)23-14-20-8-5-11-29-26(20)25(15-23)19-7-4-6-18(12-19)21-13-22(17-31(33)16-21)27(32)30-24-9-10-24/h4-8,11-17,24H,9-10H2,1-3H3,(H,30,32)