3-[(Z)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]-3-methoxy-prop-1-enyl]benzenecarboximidamide

Systemtic Name: 3-[(Z)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]-3-methoxy-prop-1-enyl]benzenecarboximidamide Openeye Name: 3-[(Z)-2-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]-3-methoxy-prop-1-enyl]benzamidine CAS Name: 3-[(Z)-2-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]-3-methoxyprop-1-enyl]benzenecarboximidamide IUPAC Name: 3-[(Z)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]-3-methoxyprop-1-enyl]benzenecarboximidamide Traditional Name: 3-[(Z)-2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]-3-methoxy-prop-1-enyl]benzamidine Formula: C28H37N5O4S MolecularWeight: 539.68948

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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=CC(=CC=C4)C(=N)N)COC

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O4S/c1-4-38(34,35)33-26-9-8-25(37-24-10-12-32(13-11-24)19(2)29)16-22(26)17-27(33)23(18-36-3)15-20-6-5-7-21(14-20)28(30)31/h5-9,14-16,24,27,29H,4,10-13,17-18H2,1-3H3,(H3,30,31)/b23-15+,29-19?