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

Systemtic Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-chloranyl-benzoic acid Openeye Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-chloro-benzoic acid CAS Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-chlorobenzoic acid IUPAC Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-chlorobenzoic acid Traditional Name: 3-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]-4-chloro-benzoic acid Formula: C19H24ClNO4S MolecularWeight: 397.91616

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClNO4S/c1-11(19-8-12-4-13(9-19)6-14(5-12)10-19)21-26(24,25)17-7-15(18(22)23)2-3-16(17)20/h2-3,7,11-14,21H,4-6,8-10H2,1H3,(H,22,23)/t11-,12?,13?,14?,19?/m1/s1