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

Systemtic Name: 3-azanyl-5-[3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[2-nitro-4-(1-piperidylsulfonyl)anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[2-nitro-4-(1-piperidinylsulfonyl)anilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(2-nitro-4-piperidin-1-ylsulfonylanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(2-nitro-4-piperidinosulfonyl-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C18H23N7O4S MolecularWeight: 433.48472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N7O4S/c19-12-14-15(22-23-18(14)20)5-4-8-21-16-7-6-13(11-17(16)25(26)27)30(28,29)24-9-2-1-3-10-24/h6-7,11,21H,1-5,8-10H2,(H3,20,22,23)