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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-N-[2-(2-thienyl)ethyl]benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-nitro-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H17N3O5S3 MolecularWeight: 487.57178

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S3/c1-32(28,29)17-7-8-18-19(13-17)31-21(22-18)23(10-9-16-6-3-11-30-16)20(25)14-4-2-5-15(12-14)24(26)27/h2-8,11-13H,9-10H2,1H3