methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pent-4-enoylamino)methyl]benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pent-4-enoylamino)methyl]benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pent-4-enoylamino)methyl]benzoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(1-oxopent-4-enylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pent-4-enoylamino)methyl]benzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pent-4-enoylamino)methyl]benzoic acid methyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)CCC=C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)CCC=C

InChI

InChI=1S/C22H24N2O7S/c1-3-4-5-21(25)23-14-15-10-16(22(26)29-2)12-17(11-15)24-32(27,28)18-6-7-19-20(13-18)31-9-8-30-19/h3,6-7,10-13,24H,1,4-5,8-9,14H2,2H3,(H,23,25)