[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21IN2O6S MolecularWeight: 544.36001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C20H21IN2O6S/c1-13-10-14(21)4-6-17(13)22-19(25)12-29-20(26)16-11-15(5-7-18(16)24)30(27,28)23-8-2-3-9-23/h4-7,10-11,24H,2-3,8-9,12H2,1H3,(H,22,25)