(2S)-N-(1,3-benzodioxol-5-yl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(8-quinolinylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5S/c25-21(23-15-8-9-17-18(12-15)29-13-28-17)16-6-3-11-24(16)30(26,27)19-7-1-4-14-5-2-10-22-20(14)19/h1-2,4-5,7-10,12,16H,3,6,11,13H2,(H,23,25)/t16-/m0/s1