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

Systemtic Name: 7-[5-[(1-ethanimidoylpiperidin-3-yl)methoxy]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Openeye Name: 7-[5-[(1-ethanimidoyl-3-piperidyl)methoxy]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine dihydrochloride CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-3-piperidinyl]methoxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide dihydrochloride IUPAC Name: 7-[5-[(1-ethanimidoylpiperidin-3-yl)methoxy]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Traditional Name: 7-[5-[(1-acetimidoyl-3-piperidyl)methoxy]-1-esyl-indolin-2-yl]-2-naphthamidine dihydrochloride Formula: C29H37Cl2N5O3S MolecularWeight: 606.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OCC3CCCN(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)OCC3CCCN(C3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C29H35N5O3S.2ClH/c1-3-38(35,36)34-27-11-10-26(37-18-20-5-4-12-33(17-20)19(2)30)15-25(27)16-28(34)22-8-6-21-7-9-23(29(31)32)14-24(21)13-22;;/h6-11,13-15,20,28,30H,3-5,12,16-18H2,1-2H3,(H3,31,32);2*1H