methyl 4-iodanyl-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 4-iodanyl-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 7-benzyloxy-4-iodo-5-(methoxycarbonylamino)-1-methylsulfonyl-indole-2-carboxylate CAS Name: 4-iodo-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-iodo-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxyindole-2-carboxylate Traditional Name: 7-benzoxy-5-(carbomethoxyamino)-4-iodo-1-mesyl-indole-2-carboxylic acid methyl ester Formula: C20H19IN2O7S MolecularWeight: 558.34353

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)OC)I

Isomeric SMILES

COC(=O)C1=CC2=C(C(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)OC)I

InChI

InChI=1S/C20H19IN2O7S/c1-28-19(24)15-9-13-17(21)14(22-20(25)29-2)10-16(18(13)23(15)31(3,26)27)30-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,22,25)