N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(propanoylamino)benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(propanoylamino)benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(propanoylamino)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1-oxopropylamino)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(propanoylamino)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-propionamido-benzamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17N3O4S2/c1-3-16(22)19-12-6-4-5-11(9-12)17(23)21-18-20-14-8-7-13(27(2,24)25)10-15(14)26-18/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21,23)