(E)-3-[3,4-dimethoxy-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[3,4-dimethoxy-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3,4-dimethoxy-5-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3,4-dimethoxy-5-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]acrylate Formula: C22H22N3O6S2- MolecularWeight: 488.55658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)OC

InChI

InChI=1S/C22H23N3O6S2/c1-30-17-11-14(5-8-20(26)27)12-19(21(17)31-2)33(28,29)24-15-6-7-16-18(13-15)32-22(23-16)25-9-3-4-10-25/h5-8,11-13,24H,3-4,9-10H2,1-2H3,(H,26,27)/p-1/b8-5+