[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C22H28ClN3O7S3 MolecularWeight: 578.12162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H28ClN3O7S3/c1-3-25(4-2)35(29,30)17-7-8-18(23)19(14-17)24-20(27)15-33-22(28)16-9-11-26(12-10-16)36(31,32)21-6-5-13-34-21/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3,(H,24,27)