2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chloranyl-phenyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chloranyl-phenyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chloro-phenyl]-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-[3-(1-adamantylmethylsulfamoyl)-4-chloro-phenyl]-1H-indol-3-yl]acetic acid Formula: C27H29ClN2O4S MolecularWeight: 513.04816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNS(=O)(=O)C4=C(C=CC(=C4)C5=C(C6=CC=CC=C6N5)CC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNS(=O)(=O)C4=C(C=CC(=C4)C5=C(C6=CC=CC=C6N5)CC(=O)O)Cl

InChI

InChI=1S/C27H29ClN2O4S/c28-22-6-5-19(26-21(11-25(31)32)20-3-1-2-4-23(20)30-26)10-24(22)35(33,34)29-15-27-12-16-7-17(13-27)9-18(8-16)14-27/h1-6,10,16-18,29-30H,7-9,11-15H2,(H,31,32)