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

Systemtic Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-4-[[methylsulfonyl(phenyl)amino]methyl]benzamide Openeye Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methyleneamino]-4-[(N-methylsulfonylanilino)methyl]benzamide CAS Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-3-pyrrolyl]methylideneamino]-4-[(N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-4-[(N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[(E)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methyleneamino]-4-[(N-mesylanilino)methyl]benzamide Formula: C29H27F3N4O3S MolecularWeight: 568.60989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=NNC(=O)C3=CC=C(C=C3)CN(C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)/C=N/NC(=O)C3=CC=C(C=C3)CN(C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C29H27F3N4O3S/c1-20-17-24(21(2)36(20)27-12-8-7-11-26(27)29(30,31)32)18-33-34-28(37)23-15-13-22(14-16-23)19-35(40(3,38)39)25-9-5-4-6-10-25/h4-18H,19H2,1-3H3,(H,34,37)/b33-18+