(E)-3-[4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(4-chloro-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]phenyl]acrylic acid Formula: C19H19ClN2O6S2 MolecularWeight: 470.94696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O)Cl

InChI

InChI=1S/C19H19ClN2O6S2/c20-17-9-6-15(13-18(17)30(27,28)22-11-1-2-12-22)21-29(25,26)16-7-3-14(4-8-16)5-10-19(23)24/h3-10,13,21H,1-2,11-12H2,(H,23,24)/b10-5+