N-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: N-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[6-(3-mesylphenyl)-1,3-benzothiazol-2-yl]propionamide Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H16N2O3S2/c1-3-16(20)19-17-18-14-8-7-12(10-15(14)23-17)11-5-4-6-13(9-11)24(2,21)22/h4-10H,3H2,1-2H3,(H,18,19,20)