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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-benzylsulfonyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-benzylsulfonylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-benzylsulfonyl-propionamide Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S2/c26-22(13-14-30(27,28)16-17-7-2-1-3-8-17)24-19-10-6-9-18(15-19)23-25-20-11-4-5-12-21(20)29-23/h1-12,15H,13-14,16H2,(H,24,26)