4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 2-(3-pyridyl)-4-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]quinazoline CAS Name: 4-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 2-(3-pyridyl)-4-[4-(4-sec-butylphenyl)sulfonylpiperazino]quinazoline Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-3-20(2)21-10-12-23(13-11-21)35(33,34)32-17-15-31(16-18-32)27-24-8-4-5-9-25(24)29-26(30-27)22-7-6-14-28-19-22/h4-14,19-20H,3,15-18H2,1-2H3