2-chloranyl-6-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-6-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-6-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzonitrile hydrochloride CAS Name: 2-chloro-6-[4-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]phenoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-6-[4-(4-piperazin-1-ylindol-1-yl)sulfonylphenoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-6-[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=C(C(=CC=C5)Cl)C#N.Cl

Isomeric SMILES

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

InChI

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