2-[4-azanyl-6-naphthalen-1-yloxy-5-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrimidin-2-yl]-2-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]ethanenitrile

Systemtic Name: 2-[4-azanyl-6-naphthalen-1-yloxy-5-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrimidin-2-yl]-2-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]ethanenitrile Openeye Name: 2-[4-amino-6-(1-naphthyloxy)-5-[4-(1-piperidylsulfonyl)phenyl]azo-pyrimidin-2-yl]-2-[4-(1-piperidylsulfonyl)phenyl]azo-acetonitrile CAS Name: 2-[4-amino-6-(1-naphthalenyloxy)-5-[4-(1-piperidinylsulfonyl)phenyl]azo-2-pyrimidinyl]-2-[4-(1-piperidinylsulfonyl)phenyl]azoacetonitrile IUPAC Name: 2-[4-amino-6-naphthalen-1-yloxy-5-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]pyrimidin-2-yl]-2-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]acetonitrile Traditional Name: 2-[4-amino-6-(1-naphthoxy)-5-(4-piperidinosulfonylphenyl)azo-pyrimidin-2-yl]-2-(4-piperidinosulfonylphenyl)azo-acetonitrile Formula: C38H38N10O5S2 MolecularWeight: 778.90232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N=C(N=C3OC4=CC=CC5=CC=CC=C54)C(C#N)N=NC6=CC=C(C=C6)S(=O)(=O)N7CCCCC7)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N=C(N=C3OC4=CC=CC5=CC=CC=C54)C(C#N)N=NC6=CC=C(C=C6)S(=O)(=O)N7CCCCC7)N

InChI

InChI=1S/C38H38N10O5S2/c39-26-33(45-43-28-14-18-30(19-15-28)54(49,50)47-22-5-1-6-23-47)37-41-36(40)35(38(42-37)53-34-13-9-11-27-10-3-4-12-32(27)34)46-44-29-16-20-31(21-17-29)55(51,52)48-24-7-2-8-25-48/h3-4,9-21,33H,1-2,5-8,22-25H2,(H2,40,41,42)