[5-acetamido-4-iodanyl-6-phenylmethoxy-1-(phenylsulfonyl)-2,3-dihydroindol-3-yl]methyl ethanoate

Systemtic Name: [5-acetamido-4-iodanyl-6-phenylmethoxy-1-(phenylsulfonyl)-2,3-dihydroindol-3-yl]methyl ethanoate Openeye Name: [5-acetamido-1-(benzenesulfonyl)-6-benzyloxy-4-iodo-indolin-3-yl]methyl acetate CAS Name: acetic acid [5-acetamido-1-(benzenesulfonyl)-4-iodo-6-phenylmethoxy-2,3-dihydroindol-3-yl]methyl ester IUPAC Name: [5-acetamido-1-(benzenesulfonyl)-4-iodo-6-phenylmethoxy-2,3-dihydroindol-3-yl]methyl acetate Traditional Name: acetic acid (5-acetamido-6-benzoxy-1-besyl-4-iodo-indolin-3-yl)methyl ester Formula: C26H25IN2O6S MolecularWeight: 620.45597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1I)C(CN2S(=O)(=O)C3=CC=CC=C3)COC(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1I)C(CN2S(=O)(=O)C3=CC=CC=C3)COC(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25IN2O6S/c1-17(30)28-26-23(35-15-19-9-5-3-6-10-19)13-22-24(25(26)27)20(16-34-18(2)31)14-29(22)36(32,33)21-11-7-4-8-12-21/h3-13,20H,14-16H2,1-2H3,(H,28,30)