6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline

Systemtic Name: 6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Openeye Name: 6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline CAS Name: 6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]quinazoline IUPAC Name: 6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline Traditional Name: 6-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4-[4-(3-mesylphenyl)piperazino]quinazoline Formula: C29H26N6O4S MolecularWeight: 554.61954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=C(NN=C5)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H26N6O4S/c1-40(36,37)22-4-2-3-21(15-22)34-9-11-35(12-10-34)29-23-13-19(5-7-25(23)30-17-31-29)24-16-32-33-28(24)20-6-8-26-27(14-20)39-18-38-26/h2-8,13-17H,9-12,18H2,1H3,(H,32,33)