(E)-3-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[(6-chloro-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(6-chloro-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(6-chloro-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(6-chloro-1,3-benzodioxol-5-yl)azanidylsulfonyl]phenyl]acrylate Formula: C16H10ClNO6S-2 MolecularWeight: 379.7717

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N-]S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N-]S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)[O-])Cl

InChI

InChI=1S/C16H11ClNO6S/c17-12-7-14-15(24-9-23-14)8-13(12)18-25(21,22)11-4-1-10(2-5-11)3-6-16(19)20/h1-8H,9H2,(H,19,20)/q-1/p-1/b6-3+