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

Systemtic Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(dimethylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(dimethylamino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(dimethylamino)-2-keto-ethyl]amino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-4-28-21(25)15-5-7-16(8-6-15)23(14-20(24)22(2)3)31(26,27)17-9-10-18-19(13-17)30-12-11-29-18/h5-10,13H,4,11-12,14H2,1-3H3