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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O3S2/c1-3-4-6-13-9-10-16-17(11-13)25-19(20-16)21-18(22)14-7-5-8-15(12-14)26(2,23)24/h5,7-12H,3-4,6H2,1-2H3,(H,20,21,22)