N-(4-methylphenyl)-4,4-bis-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(4-methylphenyl)-4,4-bis-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(p-tolyl)-4,4-bis(p-tolylsulfonyl)butanamide CAS Name: N-(4-methylphenyl)-4,4-bis-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4-methylphenyl)-4,4-bis-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(p-tolyl)-4,4-ditosyl-butyramide Formula: C25H27NO5S2 MolecularWeight: 485.61558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H27NO5S2/c1-18-4-10-21(11-5-18)26-24(27)16-17-25(32(28,29)22-12-6-19(2)7-13-22)33(30,31)23-14-8-20(3)9-15-23/h4-15,25H,16-17H2,1-3H3,(H,26,27)