6-[(1S,2S)-1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[(1S,2S)-1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)-1-piperidyl]butyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-yl-1-piperidinyl)butyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)piperidino]butyl]-3,4-dihydrocarbostyril Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)NC(=O)CC2)O)N3CCC(CC3)(C4=CC=CS4)O

Isomeric SMILES

CC[C@@H]([C@H](C1=CC2=C(C=C1)NC(=O)CC2)O)N3CCC(CC3)(C4=CC=CS4)O

InChI

InChI=1S/C22H28N2O3S/c1-2-18(24-11-9-22(27,10-12-24)19-4-3-13-28-19)21(26)16-5-7-17-15(14-16)6-8-20(25)23-17/h3-5,7,13-14,18,21,26-27H,2,6,8-12H2,1H3,(H,23,25)/t18-,21-/m0/s1