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

Systemtic Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexyl-quinazolin-4-amine Openeye Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexyl-quinazolin-4-amine CAS Name: 2-[1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-cyclohexyl-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine Traditional Name: [2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-cyclohexyl-amine Formula: C30H41N5O2S MolecularWeight: 535.74384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NC3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NC3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C30H41N5O2S/c1-22(28-32-27-13-9-8-12-26(27)29(33-28)31-24-10-6-5-7-11-24)34-18-20-35(21-19-34)38(36,37)25-16-14-23(15-17-25)30(2,3)4/h8-9,12-17,22,24H,5-7,10-11,18-21H2,1-4H3,(H,31,32,33)