methyl 3-[[2,2-dimethyl-3-oxidanyl-6-(phenethylcarbamoyl)-3,4-dihydrochromen-4-yl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[2,2-dimethyl-3-oxidanyl-6-(phenethylcarbamoyl)-3,4-dihydrochromen-4-yl]sulfamoyl]benzoate Openeye Name: methyl 3-[[3-hydroxy-2,2-dimethyl-6-(phenethylcarbamoyl)chroman-4-yl]sulfamoyl]benzoate CAS Name: 3-[[3-hydroxy-2,2-dimethyl-6-[oxo-(phenethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-hydroxy-2,2-dimethyl-6-(phenethylcarbamoyl)-3,4-dihydrochromen-4-yl]sulfamoyl]benzoate Traditional Name: 3-[[3-hydroxy-2,2-dimethyl-6-(phenethylcarbamoyl)chroman-4-yl]sulfamoyl]benzoic acid methyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)NCCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)OC)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)NCCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)OC)O)C

InChI

InChI=1S/C28H30N2O7S/c1-28(2)25(31)24(30-38(34,35)21-11-7-10-20(16-21)27(33)36-3)22-17-19(12-13-23(22)37-28)26(32)29-15-14-18-8-5-4-6-9-18/h4-13,16-17,24-25,30-31H,14-15H2,1-3H3,(H,29,32)