2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2-methylphenyl)quinazolin-4-amine

Systemtic Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2-methylphenyl)quinazolin-4-amine Openeye Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(o-tolyl)quinazolin-4-amine CAS Name: 2-[1-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(2-methylphenyl)-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(2-methylphenyl)quinazolin-4-amine Traditional Name: [2-[1-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-(o-tolyl)amine Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5C

InChI

InChI=1S/C31H37N5O3S/c1-4-5-22-39-25-14-16-26(17-15-25)40(37,38)36-20-18-35(19-21-36)24(3)30-33-29-13-9-7-11-27(29)31(34-30)32-28-12-8-6-10-23(28)2/h6-17,24H,4-5,18-22H2,1-3H3,(H,32,33,34)