3-[5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyridin-2-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile

Systemtic Name: 3-[5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyridin-2-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile Openeye Name: 3-[5-(4-isopentylpiperazin-1-yl)sulfonyl-2-pyridyl]-2-oxo-indoline-5-carbonitrile CAS Name: 3-[5-[[4-(3-methylbutyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-carbonitrile IUPAC Name: 3-[5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyridin-2-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile Traditional Name: 3-[5-(4-isoamylpiperazino)sulfonyl-2-pyridyl]-2-keto-indoline-5-carbonitrile Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)C3C4=C(C=CC(=C4)C#N)NC3=O

Isomeric SMILES

CC(C)CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)C3C4=C(C=CC(=C4)C#N)NC3=O

InChI

InChI=1S/C23H27N5O3S/c1-16(2)7-8-27-9-11-28(12-10-27)32(30,31)18-4-6-21(25-15-18)22-19-13-17(14-24)3-5-20(19)26-23(22)29/h3-6,13,15-16,22H,7-12H2,1-2H3,(H,26,29)