[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H27N3O8S3 MolecularWeight: 557.66008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O8S3/c26-20(23-18-3-1-4-19(15-18)35(28,29)25-10-12-32-13-11-25)16-33-22(27)17-6-8-24(9-7-17)36(30,31)21-5-2-14-34-21/h1-5,14-15,17H,6-13,16H2,(H,23,26)