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

Systemtic Name: methyl 3-[(cyclopropylcarbonylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: methyl 3-[(cyclopropanecarbonylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 3-[[[cyclopropyl(oxo)methyl]amino]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[(cyclopropanecarbonylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 3-[(cyclopropanecarbonylamino)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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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)C4CC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C4CC4

InChI

InChI=1S/C21H22N2O7S/c1-28-21(25)15-8-13(12-22-20(24)14-2-3-14)9-16(10-15)23-31(26,27)17-4-5-18-19(11-17)30-7-6-29-18/h4-5,8-11,14,23H,2-3,6-7,12H2,1H3,(H,22,24)