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

Systemtic Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenyl-quinazolin-4-amine Openeye Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenyl-quinazolin-4-amine CAS Name: 2-[1-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-phenyl-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine Traditional Name: [2-[1-[4-(4-butylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-phenyl-amine Formula: C30H35N5O2S MolecularWeight: 529.6962

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O2S/c1-3-4-10-24-15-17-26(18-16-24)38(36,37)35-21-19-34(20-22-35)23(2)29-32-28-14-9-8-13-27(28)30(33-29)31-25-11-6-5-7-12-25/h5-9,11-18,23H,3-4,10,19-22H2,1-2H3,(H,31,32,33)