N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-benzo[g][1,3]benzothiazol-2-yl-3-(p-tolylsulfonyl)propanamide CAS Name: N-(2-benzo[g][1,3]benzothiazolyl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-benzo[g][1,3]benzothiazol-2-yl-3-tosyl-propionamide Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O3S2/c1-14-6-9-16(10-7-14)28(25,26)13-12-19(24)23-21-22-18-11-8-15-4-2-3-5-17(15)20(18)27-21/h2-11H,12-13H2,1H3,(H,22,23,24)