(phenylmethyl) (1S)-4a-iodanyl-1-(3-methoxy-3-oxidanylidene-propyl)-8-methylsulfonyloxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Systemtic Name: (phenylmethyl) (1S)-4a-iodanyl-1-(3-methoxy-3-oxidanylidene-propyl)-8-methylsulfonyloxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Openeye Name: benzyl (1S)-4a-iodo-1-(3-methoxy-3-oxo-propyl)-8-methylsulfonyloxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate CAS Name: (1S)-4a-iodo-1-(3-methoxy-3-oxopropyl)-8-methylsulfonyloxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S)-4a-iodo-1-(3-methoxy-3-oxopropyl)-8-methylsulfonyloxy-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate Traditional Name: (1S)-4a-iodo-1-(3-keto-3-methoxy-propyl)-8-methylsulfonyloxy-3,4-dihydro-1H-$b-carboline-2-carboxylic acid benzyl ester Formula: C24H25IN2O7S MolecularWeight: 612.43397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C2=NC3=C(C2(CCN1C(=O)OCC4=CC=CC=C4)I)C=CC=C3OS(=O)(=O)C

Isomeric SMILES

COC(=O)CC[C@H]1C2=NC3=C(C2(CCN1C(=O)OCC4=CC=CC=C4)I)C=CC=C3OS(=O)(=O)C

InChI

InChI=1S/C24H25IN2O7S/c1-32-20(28)12-11-18-22-24(25,17-9-6-10-19(21(17)26-22)34-35(2,30)31)13-14-27(18)23(29)33-15-16-7-4-3-5-8-16/h3-10,18H,11-15H2,1-2H3/t18-,24?/m0/s1