2-[[3-[3,4-bis(oxidanyl)-1-sulfanyl-butyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-5-piperidin-1-yl-benzamide

Systemtic Name: 2-[[3-[3,4-bis(oxidanyl)-1-sulfanyl-butyl]phenyl]carbonylamino]-N-[(E)-[4-chloranyl-3-(trifluoromethyl)phenyl]methylideneamino]-5-piperidin-1-yl-benzamide Openeye Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methyleneamino]-2-[[3-(3,4-dihydroxy-1-sulfanyl-butyl)benzoyl]amino]-5-(1-piperidyl)benzamide CAS Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[[3-(3,4-dihydroxy-1-mercaptobutyl)phenyl]-oxomethyl]amino]-5-(1-piperidinyl)benzamide IUPAC Name: N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-(3,4-dihydroxy-1-sulfanylbutyl)benzoyl]amino]-5-piperidin-1-ylbenzamide Traditional Name: N-[(E)-[4-chloro-3-(trifluoromethyl)benzylidene]amino]-2-[[3-(3,4-dihydroxy-1-mercapto-butyl)benzoyl]amino]-5-piperidino-benzamide Formula: C31H32ClF3N4O4S MolecularWeight: 649.12339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(CC(CO)O)S)C(=O)NN=CC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(CC(CO)O)S)C(=O)N/N=C/C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C31H32ClF3N4O4S/c32-26-9-7-19(13-25(26)31(33,34)35)17-36-38-30(43)24-15-22(39-11-2-1-3-12-39)8-10-27(24)37-29(42)21-6-4-5-20(14-21)28(44)16-23(41)18-40/h4-10,13-15,17,23,28,40-41,44H,1-3,11-12,16,18H2,(H,37,42)(H,38,43)/b36-17+