6-[4-[2-(2-methylpropoxy)-2-phenyl-ethyl]piperazin-1-yl]sulfonyl-4-piperidin-1-yl-quinazoline

Systemtic Name: 6-[4-[2-(2-methylpropoxy)-2-phenyl-ethyl]piperazin-1-yl]sulfonyl-4-piperidin-1-yl-quinazoline Openeye Name: 6-[4-(2-isobutoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonyl-4-(1-piperidyl)quinazoline CAS Name: 6-[[4-[2-(2-methylpropoxy)-2-phenylethyl]-1-piperazinyl]sulfonyl]-4-(1-piperidinyl)quinazoline IUPAC Name: 6-[4-[2-(2-methylpropoxy)-2-phenylethyl]piperazin-1-yl]sulfonyl-4-piperidin-1-ylquinazoline Traditional Name: 6-[4-(2-isobutoxy-2-phenyl-ethyl)piperazino]sulfonyl-4-piperidino-quinazoline Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN=C3N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)COC(CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN=C3N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H39N5O3S/c1-23(2)21-37-28(24-9-5-3-6-10-24)20-32-15-17-34(18-16-32)38(35,36)25-11-12-27-26(19-25)29(31-22-30-27)33-13-7-4-8-14-33/h3,5-6,9-12,19,22-23,28H,4,7-8,13-18,20-21H2,1-2H3