[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[2-(4-morpholinylmethyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-34(30,31)20-7-6-16(12-19(20)25(28)29)22(27)33-15-21(26)23-13-17-4-2-3-5-18(17)14-24-8-10-32-11-9-24/h2-7,12H,8-11,13-15H2,1H3,(H,23,26)