4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 4-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 4-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H17ClN2O3S3 MolecularWeight: 477.01928

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O3S3/c1-30(26,27)17-8-9-18-19(13-17)29-21(23-18)24(11-10-16-3-2-12-28-16)20(25)14-4-6-15(22)7-5-14/h2-9,12-13H,10-11H2,1H3