N-[4-[(5-azido-1-phenylsulfanyl-pentan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

Systemtic Name: N-[4-[(5-azido-1-phenylsulfanyl-pentan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-[[4-azido-1-(phenylsulfanylmethyl)butyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-[[5-azido-1-(phenylthio)pentan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-[(5-azido-1-phenylsulfanylpentan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-[[4-azido-1-[(phenylthio)methyl]butyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C30H27FN6O5S2 MolecularWeight: 634.700983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCCN=[N+]=[N-])NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCCN=[N+]=[N-])NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C30H27FN6O5S2/c31-24-14-12-22(13-15-24)21-8-10-23(11-9-21)30(38)35-44(41,42)27-16-17-28(29(19-27)37(39)40)34-25(5-4-18-33-36-32)20-43-26-6-2-1-3-7-26/h1-3,6-17,19,25,34H,4-5,18,20H2,(H,35,38)