[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(5-chloranylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(5-chloro-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H24ClNO5S2 MolecularWeight: 494.02336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C23H24ClNO5S2/c24-20-5-6-21(31-20)32(28,29)25-18-3-1-17(2-4-18)22(27)30-13-19(26)23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,14-16,25H,7-13H2