N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]benzamide

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]benzamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]benzamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]benzamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]benzamide Formula: C33H34F3N5O5S2 MolecularWeight: 701.77877

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C33H34F3N5O5S2/c1-40(2)19-7-6-8-26(22-47-27-9-4-3-5-10-27)38-30-18-16-28(20-31(30)41(43)44)48(45,46)39-32(42)24-13-11-23(12-14-24)29-17-15-25(21-37-29)33(34,35)36/h3-5,9-18,20-21,26,38H,6-8,19,22H2,1-2H3,(H,39,42)