5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chloranyl-benzoic acid Openeye Name: 5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chloro-benzoic acid CAS Name: 5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chlorobenzoic acid IUPAC Name: 5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chlorobenzoic acid Traditional Name: 5-[[(1S)-1-(2-adamantyl)ethyl]sulfamoyl]-2-chloro-benzoic acid Formula: C19H24ClNO4S MolecularWeight: 397.91616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC3CC(C2)CC1C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C[C@@H](C1C2CC3CC(C2)CC1C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H24ClNO4S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)21-26(24,25)15-2-3-17(20)16(9-15)19(22)23/h2-3,9-14,18,21H,4-8H2,1H3,(H,22,23)/t10-,11?,12?,13?,14?,18?/m0/s1