6-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2,4,6-triisopropylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2,4,6-triisopropylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C25H34N4O2S/c1-17(2)21-13-22(18(3)4)25(23(14-21)19(5)6)32(30,31)29-11-9-28(10-12-29)24-8-7-20(15-26)16-27-24/h7-8,13-14,16-19H,9-12H2,1-6H3