[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-nitrobenzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-1-phenyl-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(3-morpholinosulfonylanilino)-1-phenyl-ethyl] ester Formula: C25H23N3O8S MolecularWeight: 525.53042

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O8S/c29-24(26-19-9-6-10-20(17-19)37(33,34)27-13-15-35-16-14-27)23(18-7-2-1-3-8-18)36-25(30)21-11-4-5-12-22(21)28(31)32/h1-12,17,23H,13-16H2,(H,26,29)