3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]ethenyl]-4-methoxy-benzenecarboximidamide dihydrochloride

Systemtic Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]ethenyl]-4-methoxy-benzenecarboximidamide dihydrochloride Openeye Name: 3-[(E)-2-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]vinyl]-4-methoxy-benzamidine dihydrochloride CAS Name: 3-[(E)-2-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]ethenyl]-4-methoxybenzenecarboximidamide dihydrochloride IUPAC Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]ethenyl]-4-methoxybenzenecarboximidamide dihydrochloride Traditional Name: 3-[(E)-2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]vinyl]-4-methoxy-benzamidine dihydrochloride Formula: C27H37Cl2N5O4S MolecularWeight: 598.58478

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C=CC4=C(C=CC(=C4)C(=N)N)OC.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)/C=C/C4=C(C=CC(=C4)C(=N)N)OC.Cl.Cl

InChI

InChI=1S/C27H35N5O4S.2ClH/c1-4-37(33,34)32-22(7-5-19-15-20(27(29)30)6-10-26(19)35-3)16-21-17-24(8-9-25(21)32)36-23-11-13-31(14-12-23)18(2)28;;/h5-10,15,17,22-23,28H,4,11-14,16H2,1-3H3,(H3,29,30);2*1H/b7-5+,28-18?;;