3-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[1-(4-piperidyl)indolin-5-yl]sulfonylbenzonitrile hydrochloride CAS Name: 3-[[1-(4-piperidinyl)-2,3-dihydroindol-5-yl]sulfonyl]benzonitrile hydrochloride IUPAC Name: 3-[(1-piperidin-4-yl-2,3-dihydroindol-5-yl)sulfonyl]benzonitrile hydrochloride Traditional Name: 3-[1-(4-piperidyl)indolin-5-yl]sulfonylbenzonitrile hydrochloride Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC3=C2C=CC(=C3)S(=O)(=O)C4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

C1CNCCC1N2CCC3=C2C=CC(=C3)S(=O)(=O)C4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C20H21N3O2S.ClH/c21-14-15-2-1-3-18(12-15)26(24,25)19-4-5-20-16(13-19)8-11-23(20)17-6-9-22-10-7-17;/h1-5,12-13,17,22H,6-11H2;1H