7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-methylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride

Systemtic Name: 7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-methylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Openeye Name: 7-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-methylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine dihydrochloride CAS Name: 7-[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-methylsulfonyl-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide dihydrochloride IUPAC Name: 7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-methylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Traditional Name: 7-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-mesyl-indolin-2-yl]-2-naphthamidine dihydrochloride Formula: C27H33Cl2N5O3S MolecularWeight: 578.55362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C27H31N5O3S.2ClH/c1-17(28)31-11-9-23(10-12-31)35-24-7-8-25-22(15-24)16-26(32(25)36(2,33)34)19-5-3-18-4-6-20(27(29)30)14-21(18)13-19;;/h3-8,13-15,23,26,28H,9-12,16H2,1-2H3,(H3,29,30);2*1H