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

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C23H26BrN3O6S MolecularWeight: 552.43804

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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=CC=C4Br

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H26BrN3O6S/c24-19-6-2-1-5-18(19)23(29)33-16-22(28)25-20-15-17(7-8-21(20)26-9-3-4-10-26)34(30,31)27-11-13-32-14-12-27/h1-2,5-8,15H,3-4,9-14,16H2,(H,25,28)