N-benzo[e][1,3]benzothiazol-2-yl-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-benzylsulfonyl-propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-benzylsulfonylpropanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-benzylsulfonyl-propionamide Formula: C21H18N2O3S2 MolecularWeight: 410.50922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O3S2/c24-19(12-13-28(25,26)14-15-6-2-1-3-7-15)22-21-23-20-17-9-5-4-8-16(17)10-11-18(20)27-21/h1-11H,12-14H2,(H,22,23,24)