[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

Systemtic Name: [(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]methanone IUPAC Name: [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [(2S)-5-chlorocoumaran-2-yl]-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)[C@@H]4CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H23ClN2O4S/c23-17-5-8-20-16(12-17)14-21(29-20)22(26)25-11-3-4-15-13-18(6-7-19(15)25)30(27,28)24-9-1-2-10-24/h5-8,12-13,21H,1-4,9-11,14H2/t21-/m0/s1