N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)piperidine-1-carboxamide

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)piperidine-1-carboxamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)piperidine-1-carboxamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)-1-piperidinecarboxamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)piperidine-1-carboxamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)piperidine-1-carboxamide Formula: C32H40FN5O5S2 MolecularWeight: 657.818903

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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)N3CCC(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)N3CCC(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C32H40FN5O5S2/c1-36(2)19-7-6-8-27(23-44-28-9-4-3-5-10-28)34-30-16-15-29(22-31(30)38(40)41)45(42,43)35-32(39)37-20-17-25(18-21-37)24-11-13-26(33)14-12-24/h3-5,9-16,22,25,27,34H,6-8,17-21,23H2,1-2H3,(H,35,39)