4-[(4-methylphenyl)methylsulfonyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: 4-[(4-methylphenyl)methylsulfonyl]-1,2-benzothiazole-3-carboxamide Openeye Name: 4-(p-tolylmethylsulfonyl)-1,2-benzothiazole-3-carboxamide CAS Name: 4-[(4-methylphenyl)methylsulfonyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: 4-[(4-methylphenyl)methylsulfonyl]-1,2-benzothiazole-3-carboxamide Traditional Name: 4-(4-methylbenzyl)sulfonyl-1,2-benzothiazole-3-carboxamide Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC3=C2C(=NS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC3=C2C(=NS3)C(=O)N

InChI

InChI=1S/C16H14N2O3S2/c1-10-5-7-11(8-6-10)9-23(20,21)13-4-2-3-12-14(13)15(16(17)19)18-22-12/h2-8H,9H2,1H3,(H2,17,19)