7-[5-(1-ethanimidoylpyrrolidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride

Systemtic Name: 7-[5-(1-ethanimidoylpyrrolidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Openeye Name: 7-[5-(1-ethanimidoylpyrrolidin-3-yl)oxy-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine dihydrochloride CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide dihydrochloride IUPAC Name: 7-[5-(1-ethanimidoylpyrrolidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Traditional Name: 7-[5-(1-acetimidoylpyrrolidin-3-yl)oxy-1-esyl-indolin-2-yl]-2-naphthamidine dihydrochloride Formula: C27H33Cl2N5O3S MolecularWeight: 578.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(C3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(C3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C27H31N5O3S.2ClH/c1-3-36(33,34)32-25-9-8-23(35-24-10-11-31(16-24)17(2)28)14-22(25)15-26(32)19-6-4-18-5-7-20(27(29)30)13-21(18)12-19;;/h4-9,12-14,24,26,28H,3,10-11,15-16H2,1-2H3,(H3,29,30);2*1H