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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

InChI

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