3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)OC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)OC

InChI

InChI=1S/C20H27NO5S/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)21-27(24,25)18-8-16(19(22)23)3-4-17(18)26-2/h3-4,8,12-15,21H,5-7,9-11H2,1-2H3,(H,22,23)/t12-,13?,14?,15?,20?/m1/s1