2-(4-methylphenyl)sulfonyl-N-phenyl-3-[[(phenylmethyl)amino]methyl]but-3-enamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-phenyl-3-[[(phenylmethyl)amino]methyl]but-3-enamide Openeye Name: 3-[(benzylamino)methyl]-N-phenyl-2-(p-tolylsulfonyl)but-3-enamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-phenyl-3-[[(phenylmethyl)amino]methyl]-3-butenamide IUPAC Name: 3-[(benzylamino)methyl]-2-(4-methylphenyl)sulfonyl-N-phenylbut-3-enamide Traditional Name: 3-[(benzylamino)methyl]-N-phenyl-2-tosyl-but-3-enamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=C)CNCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=C)CNCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-19-13-15-23(16-14-19)31(29,30)24(25(28)27-22-11-7-4-8-12-22)20(2)17-26-18-21-9-5-3-6-10-21/h3-16,24,26H,2,17-18H2,1H3,(H,27,28)