N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1-pyrrolidinylsulfonyl)-2-quinolinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(6-pyrrolidinosulfonyl-2-quinolyl)amine Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H21N3O4S/c25-29(26,24-9-1-2-10-24)17-5-6-18-15(13-17)3-8-21(23-18)22-16-4-7-19-20(14-16)28-12-11-27-19/h3-8,13-14H,1-2,9-12H2,(H,22,23)