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

Systemtic Name: 3-[(E)-1-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]prop-1-en-2-yl]benzenecarboximidamide Openeye Name: 3-[(E)-2-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]-1-methyl-vinyl]benzamidine CAS Name: 3-[(E)-1-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]prop-1-en-2-yl]benzenecarboximidamide IUPAC Name: 3-[(E)-1-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]prop-1-en-2-yl]benzenecarboximidamide Traditional Name: 3-[(E)-2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]-1-methyl-vinyl]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=C(C)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

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

InChI

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