4-piperidin-1-yl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline

Systemtic Name: 4-piperidin-1-yl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline Openeye Name: 4-(1-piperidyl)-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline CAS Name: 4-(1-piperidinyl)-2-[1-[4-[4-(1-pyrazolyl)phenyl]sulfonyl-1-piperazinyl]ethyl]quinazoline IUPAC Name: 4-piperidin-1-yl-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazoline Traditional Name: 4-piperidino-2-[1-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazino]ethyl]quinazoline Formula: C28H33N7O2S MolecularWeight: 531.67232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)N3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)N3CCCCC3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C28H33N7O2S/c1-22(27-30-26-9-4-3-8-25(26)28(31-27)33-15-5-2-6-16-33)32-18-20-34(21-19-32)38(36,37)24-12-10-23(11-13-24)35-17-7-14-29-35/h3-4,7-14,17,22H,2,5-6,15-16,18-21H2,1H3