[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxycarbonylamino)benzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxycarbonylamino)benzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3-(ethoxycarbonylamino)benzoate CAS Name: 3-(ethoxycarbonylamino)benzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(ethoxycarbonylamino)benzoate Traditional Name: 3-(carbethoxyamino)benzoic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25N3O8S/c1-2-32-22(28)24-17-6-3-5-16(13-17)21(27)33-15-20(26)23-18-7-4-8-19(14-18)34(29,30)25-9-11-31-12-10-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)(H,24,28)