3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]acrylamide Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29N3O5S2/c1-3-5-13-28(14-6-4-2)35(30,31)19-9-10-20-23(16-19)34-25(26-20)27-24(29)12-8-18-7-11-21-22(15-18)33-17-32-21/h7-12,15-16H,3-6,13-14,17H2,1-2H3,(H,26,27,29)