ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(2-methoxyethylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-keto-2-(2-methoxyethylamino)ethyl]amino]benzoic acid ethyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC(=O)NCCOC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC(=O)NCCOC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O8S/c1-3-30-22(26)16-4-6-17(7-5-16)24(15-21(25)23-10-11-29-2)33(27,28)18-8-9-19-20(14-18)32-13-12-31-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)