2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(4-piperidinosulfonylanilino)ethyl]thio]quinazolin-4-olate Formula: C21H21N4O4S2- MolecularWeight: 457.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H22N4O4S2/c26-19(14-30-21-23-18-7-3-2-6-17(18)20(27)24-21)22-15-8-10-16(11-9-15)31(28,29)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,22,26)(H,23,24,27)/p-1