N-phenethyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-phenethyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-phenethyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-phenethyl-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-phenethyl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: phenethyl-[2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C31H33N7O2S MolecularWeight: 567.70442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C31H33N7O2S/c1-24(30-34-29-11-6-5-10-28(29)31(35-30)32-18-16-25-8-3-2-4-9-25)36-20-22-37(23-21-36)41(39,40)27-14-12-26(13-15-27)38-19-7-17-33-38/h2-15,17,19,24H,16,18,20-23H2,1H3,(H,32,34,35)