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

Systemtic Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]benzoate Openeye Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(isopropylamino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-(isopropylamino)-2-keto-ethyl]amino]benzoic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-4-29-22(26)16-5-7-17(8-6-16)24(14-21(25)23-15(2)3)32(27,28)18-9-10-19-20(13-18)31-12-11-30-19/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,23,25)