2-[[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(7-chloropiperonyloyl)amino]phenyl]sulfonylamino]acetic acid Formula: C16H13ClN2O7S MolecularWeight: 412.80162

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O)Cl

InChI

InChI=1S/C16H13ClN2O7S/c17-12-5-9(6-13-15(12)26-8-25-13)16(22)19-10-1-3-11(4-2-10)27(23,24)18-7-14(20)21/h1-6,18H,7-8H2,(H,19,22)(H,20,21)