[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C26H29N3O5S2 MolecularWeight: 527.65556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C26H29N3O5S2/c30-23(20-14-12-19(13-15-20)18-7-2-1-3-8-18)17-34-26(31)22-10-4-5-16-29(22)36(32,33)24-11-6-9-21-25(24)28-35-27-21/h6,9,11-15,18,22H,1-5,7-8,10,16-17H2