N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-mesyl-benzamide Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O3S2/c1-28(25,26)17-9-5-6-14(13-17)20(24)22-16-8-4-7-15(12-16)21-23-18-10-2-3-11-19(18)27-21/h2-13H,1H3,(H,22,24)