2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(2-chlorophenyl)amino]quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-chloroanilino)-2-quinazolinyl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-chloroanilino)quinazolin-2-yl]thio]-1-(4-mesylpiperazino)ethanone Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN5O3S2/c1-32(29,30)27-12-10-26(11-13-27)19(28)14-31-21-24-17-8-4-2-6-15(17)20(25-21)23-18-9-5-3-7-16(18)22/h2-9H,10-14H2,1H3,(H,23,24,25)