(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]acrylamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S2/c1-3-24(4-2)29(26,27)17-12-9-16(10-13-17)11-14-20(25)22-15-21-23-18-7-5-6-8-19(18)28-21/h5-14H,3-4,15H2,1-2H3,(H,22,25)/b14-11+