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

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic 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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C23H26N4O8S MolecularWeight: 518.53954

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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=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O8S/c28-22(16-35-23(29)18-5-1-2-6-20(18)27(30)31)24-19-15-17(7-8-21(19)25-9-3-4-10-25)36(32,33)26-11-13-34-14-12-26/h1-2,5-8,15H,3-4,9-14,16H2,(H,24,28)