N-[3-cyano-4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-cyano-4-[1-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide Openeye Name: N-[3-cyano-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide CAS Name: N-[3-cyano-4-[1-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-cyano-4-[1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide Traditional Name: N-[3-cyano-4-[1-(5-p-toluoyl-1H-pyrrol-2-yl)ethyl]phenyl]methanesulfonamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)C)C#N

InChI

InChI=1S/C22H21N3O3S/c1-14-4-6-16(7-5-14)22(26)21-11-10-20(24-21)15(2)19-9-8-18(12-17(19)13-23)25-29(3,27)28/h4-12,15,24-25H,1-3H3