N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-ethylsulfonyl-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-ethylsulfonyl-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-ethylsulfonyl-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-ethylsulfonylbenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-ethylsulfonylbenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-esyl-benzamide Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S2/c1-2-29(26,27)20-10-6-3-7-17(20)21(25)23-16-13-11-15(12-14-16)22-24-18-8-4-5-9-19(18)28-22/h3-14H,2H2,1H3,(H,23,25)