N-(3-methylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-(3-methylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-(m-tolyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(3-methylphenyl)-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-(3-methylphenyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: m-tolyl-[2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C30H31N7O2S MolecularWeight: 553.67784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C(C)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C30H31N7O2S/c1-22-7-5-8-24(21-22)32-30-27-9-3-4-10-28(27)33-29(34-30)23(2)35-17-19-36(20-18-35)40(38,39)26-13-11-25(12-14-26)37-16-6-15-31-37/h3-16,21,23H,17-20H2,1-2H3,(H,32,33,34)