7-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride

Systemtic Name: 7-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride Openeye Name: 7-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carbonitrile dihydrochloride CAS Name: 7-[1-ethylsulfonyl-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarbonitrile dihydrochloride IUPAC Name: 7-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride Traditional Name: 7-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]naphthalene-2-carbonitrile dihydrochloride Formula: C28H32Cl2N4O3S MolecularWeight: 575.54968

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=C(C=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=C(C=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl

InChI

InChI=1S/C28H30N4O3S.2ClH/c1-3-36(33,34)32-27(22-7-6-21-5-4-20(18-29)14-24(21)15-22)16-23-8-9-26(17-28(23)32)35-25-10-12-31(13-11-25)19(2)30;;/h4-9,14-15,17,25,27,30H,3,10-13,16H2,1-2H3;2*1H