N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propionamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/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/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,22,25)