2-chloranyl-5-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-5-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-5-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzonitrile hydrochloride CAS Name: 2-chloro-5-[4-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]phenoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-5-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-5-[4-(4-piperazinoindol-1-yl)sulfonylphenoxy]benzonitrile hydrochloride Formula: C25H22Cl2N4O3S MolecularWeight: 529.43818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)Cl)C#N.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)OC5=CC(=C(C=C5)Cl)C#N.Cl

InChI

InChI=1S/C25H21ClN4O3S.ClH/c26-23-9-6-20(16-18(23)17-27)33-19-4-7-21(8-5-19)34(31,32)30-13-10-22-24(2-1-3-25(22)30)29-14-11-28-12-15-29;/h1-10,13,16,28H,11-12,14-15H2;1H