2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine

Systemtic Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine Openeye Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(m-tolyl)quinazolin-4-amine CAS Name: 2-[1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(3-methylphenyl)-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine Traditional Name: [2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-(m-tolyl)amine Formula: C31H37N5O2S MolecularWeight: 543.72278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H37N5O2S/c1-22-9-8-10-25(21-22)32-30-27-11-6-7-12-28(27)33-29(34-30)23(2)35-17-19-36(20-18-35)39(37,38)26-15-13-24(14-16-26)31(3,4)5/h6-16,21,23H,17-20H2,1-5H3,(H,32,33,34)