3-azanyl-5-[5-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[2-nitro-4-(1-piperidylsulfonyl)anilino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[2-nitro-4-(1-piperidinylsulfonyl)anilino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-(2-nitro-4-piperidin-1-ylsulfonylanilino)pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-(2-nitro-4-piperidinosulfonyl-anilino)pentyl]-1H-pyrazole-4-carbonitrile Formula: C20H27N7O4S MolecularWeight: 461.53788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O4S/c21-14-16-17(24-25-20(16)22)7-3-1-4-10-23-18-9-8-15(13-19(18)27(28)29)32(30,31)26-11-5-2-6-12-26/h8-9,13,23H,1-7,10-12H2,(H3,22,24,25)