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

Systemtic Name: 5-azanyl-3-[3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C23H25N7O4S MolecularWeight: 495.5541

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O4S/c24-16-19-20(27-29(23(19)25)17-7-2-1-3-8-17)9-6-12-26-21-11-10-18(15-22(21)30(31)32)35(33,34)28-13-4-5-14-28/h1-3,7-8,10-11,15,26H,4-6,9,12-14,25H2