3-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N5O4S/c28-21(15-27-22(29)18-7-1-2-8-19(18)23-24-27)26-13-5-6-16-14-17(9-10-20(16)26)32(30,31)25-11-3-4-12-25/h1-2,7-10,14H,3-6,11-13,15H2