[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O6S2/c25-20(15-30-21(26)19-4-3-13-31-19)22-17-14-16(5-6-18(17)23-7-1-2-8-23)32(27,28)24-9-11-29-12-10-24/h3-6,13-14H,1-2,7-12,15H2,(H,22,25)