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

Systemtic Name: 3-azanyl-5-[3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C17H21N7O4S MolecularWeight: 419.45814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4S/c18-11-13-14(21-22-17(13)19)4-3-7-20-15-6-5-12(10-16(15)24(25)26)29(27,28)23-8-1-2-9-23/h5-6,10,20H,1-4,7-9H2,(H3,19,21,22)