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

Systemtic Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine Openeye Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(m-tolyl)quinazolin-4-amine CAS Name: 2-[1-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(3-methylphenyl)-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methylphenyl)quinazolin-4-amine Traditional Name: [2-[1-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-(m-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(=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC(=C5)C

InChI

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