N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-propionamide Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S2/c1-24(21,22)13-8-9-14-15(11-13)23-17(18-14)19-16(20)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,18,19,20)