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

Systemtic Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]prop-1-enyl]benzenecarboximidamide Openeye Name: 3-[(E)-2-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]prop-1-enyl]benzamidine CAS Name: 3-[(E)-2-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]prop-1-enyl]benzenecarboximidamide IUPAC Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]prop-1-enyl]benzenecarboximidamide Traditional Name: 3-[(E)-2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]prop-1-enyl]benzamidine Formula: C27H35N5O3S MolecularWeight: 509.6635

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O3S/c1-4-36(33,34)32-25-9-8-24(35-23-10-12-31(13-11-23)19(3)28)16-22(25)17-26(32)18(2)14-20-6-5-7-21(15-20)27(29)30/h5-9,14-16,23,26,28H,4,10-13,17H2,1-3H3,(H3,29,30)/b18-14+,28-19?