N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C25H26N2O4S2 MolecularWeight: 482.61494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O4S2/c1-18-12-13-22-24(19(18)2)26-25(32-22)27(16-21-10-6-14-31-21)23(28)11-7-15-33(29,30)17-20-8-4-3-5-9-20/h3-6,8-10,12-14H,7,11,15-17H2,1-2H3