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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H37N5O2S/c1-23(29-33-28-13-9-8-12-27(28)30(34-29)32-22-24-10-6-5-7-11-24)35-18-20-36(21-19-35)39(37,38)26-16-14-25(15-17-26)31(2,3)4/h5-17,23H,18-22H2,1-4H3,(H,32,33,34)