N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-benzyl-3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-benzyl-3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-benzylsulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S2/c1-19-9-8-14-22-24(19)26-25(31-22)27(17-20-10-4-2-5-11-20)23(28)15-16-32(29,30)18-21-12-6-3-7-13-21/h2-14H,15-18H2,1H3