(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-quinolin-3-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-quinolin-3-yl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-quinolinyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-quinolin-3-ylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-quinolyl)pyrrolidine-2-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C22H21N3O5S/c26-22(24-16-12-15-4-1-2-5-18(15)23-14-16)19-6-3-9-25(19)31(27,28)17-7-8-20-21(13-17)30-11-10-29-20/h1-2,4-5,7-8,12-14,19H,3,6,9-11H2,(H,24,26)/t19-/m0/s1