[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CN4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CN4)OC1

InChI

InChI=1S/C22H20N2O7S/c25-19(18-3-1-10-23-18)14-31-22(26)15-4-6-16(7-5-15)24-32(27,28)17-8-9-20-21(13-17)30-12-2-11-29-20/h1,3-10,13,23-24H,2,11-12,14H2