N-[6-chloranyl-2-[(3S)-3-(2-hydroxyethylsulfonyl)pyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexyl-ethanamide

Systemtic Name: N-[6-chloranyl-2-[(3S)-3-(2-hydroxyethylsulfonyl)pyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexyl-ethanamide Openeye Name: N-[6-chloro-2-[(3S)-3-(2-hydroxyethylsulfonyl)pyrrolidin-1-yl]-5-quinolyl]-2-cyclohexyl-acetamide CAS Name: N-[6-chloro-2-[(3S)-3-(2-hydroxyethylsulfonyl)-1-pyrrolidinyl]-5-quinolinyl]-2-cyclohexylacetamide IUPAC Name: N-[6-chloro-2-[(3S)-3-(2-hydroxyethylsulfonyl)pyrrolidin-1-yl]quinolin-5-yl]-2-cyclohexylacetamide Traditional Name: N-[6-chloro-2-[(3S)-3-(2-hydroxyethylsulfonyl)pyrrolidino]-5-quinolyl]-2-cyclohexyl-acetamide Formula: C23H30ClN3O4S MolecularWeight: 480.02

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(C4)S(=O)(=O)CCO)Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CC[C@@H](C4)S(=O)(=O)CCO)Cl

InChI

InChI=1S/C23H30ClN3O4S/c24-19-7-8-20-18(23(19)26-22(29)14-16-4-2-1-3-5-16)6-9-21(25-20)27-11-10-17(15-27)32(30,31)13-12-28/h6-9,16-17,28H,1-5,10-15H2,(H,26,29)/t17-/m0/s1