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

Systemtic Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine Openeye Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine CAS Name: 2-[1-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(3-methoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(3-methoxyphenyl)quinazolin-4-amine Traditional Name: [2-[1-[4-(4-butylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-(3-methoxyphenyl)amine Formula: C31H37N5O3S MolecularWeight: 559.72218

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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)NC5=CC(=CC=C5)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC(=CC=C5)OC

InChI

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