N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)pentanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)pentanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]pentanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)pentanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)pentanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]valeramide Formula: C19H22N2O3S3 MolecularWeight: 422.58458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCC1=CC=CS1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)N(CCC1=CC=CS1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O3S3/c1-3-4-7-18(22)21(11-10-14-6-5-12-25-14)19-20-16-9-8-15(27(2,23)24)13-17(16)26-19/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3