methyl 3-[(1-adamantylcarbonylamino)sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[(1-adamantylcarbonylamino)sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[(adamantane-1-carbonylamino)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(adamantane-1-carbonylamino)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(adamantane-1-carbonylamino)sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O5S/c1-12-3-4-16(18(23)27-2)8-17(12)28(25,26)22-21-19(24)20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,22H,5-7,9-11H2,1-2H3,(H,21,24)