[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C25H31N3O6S MolecularWeight: 501.59514

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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)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O6S/c29-24(19-34-25(30)11-8-20-6-2-1-3-7-20)26-22-18-21(9-10-23(22)27-12-4-5-13-27)35(31,32)28-14-16-33-17-15-28/h1-3,6-7,9-10,18H,4-5,8,11-17,19H2,(H,26,29)