[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C18H17ClN2O7S MolecularWeight: 440.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H17ClN2O7S/c1-10(17(22)21-8-11-2-5-14-15(6-11)27-9-26-14)28-18(23)12-3-4-13(19)16(7-12)29(20,24)25/h2-7,10H,8-9H2,1H3,(H,21,22)(H2,20,24,25)/t10-/m0/s1