2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonylmethyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonylmethyl]-3-oxidanylidene-N-(3-piperidin-1-ylpropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfonylmethyl]-3-oxo-N-[3-(1-piperidyl)propyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylsulfonylmethyl]-3-oxo-N-[3-(1-piperidinyl)propyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfonylmethyl]-3-oxo-N-(3-piperidin-1-ylpropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)sulfonylmethyl]-3-keto-N-(3-piperidinopropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C25H30ClFN4O4S MolecularWeight: 537.046503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C25H30ClFN4O4S/c26-20-14-19(27)7-5-18(20)15-36(34,35)16-23-25(33)30-22-13-17(6-8-21(22)29-23)24(32)28-9-4-12-31-10-2-1-3-11-31/h5-8,13-14,23,29H,1-4,9-12,15-16H2,(H,28,32)(H,30,33)