2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-(4-methoxyphenyl)sulfonyl-amino]acetic acid Formula: C17H16ClNO7S MolecularWeight: 413.82944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2Cl)OCO3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2Cl)OCO3)CC(=O)O

InChI

InChI=1S/C17H16ClNO7S/c1-24-12-2-4-13(5-3-12)27(22,23)19(9-17(20)21)8-11-6-15-16(7-14(11)18)26-10-25-15/h2-7H,8-10H2,1H3,(H,20,21)