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

Systemtic Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexyl-quinazolin-4-amine Openeye Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexyl-quinazolin-4-amine CAS Name: 2-[1-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-N-cyclohexyl-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-cyclohexylquinazolin-4-amine Traditional Name: [2-[1-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]-cyclohexyl-amine Formula: C30H41N5O3S MolecularWeight: 551.74324

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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)NC5CCCCC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5CCCCC5

InChI

InChI=1S/C30H41N5O3S/c1-3-4-22-38-25-14-16-26(17-15-25)39(36,37)35-20-18-34(19-21-35)23(2)29-32-28-13-9-8-12-27(28)30(33-29)31-24-10-6-5-7-11-24/h8-9,12-17,23-24H,3-7,10-11,18-22H2,1-2H3,(H,31,32,33)