4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methyleneamino]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]benzamide Traditional Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methyleneamino]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C31H31F3N4O3S MolecularWeight: 596.66305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NN=CC3=C(N(C(=C3)C)C4=CC=CC=C4C(F)(F)F)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N/N=C/C3=C(N(C(=C3)C)C4=CC=CC=C4C(F)(F)F)C)S(=O)(=O)C)C

InChI

InChI=1S/C31H31F3N4O3S/c1-20-10-15-27(16-21(20)2)37(42(5,40)41)19-24-11-13-25(14-12-24)30(39)36-35-18-26-17-22(3)38(23(26)4)29-9-7-6-8-28(29)31(32,33)34/h6-18H,19H2,1-5H3,(H,36,39)/b35-18+