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

Systemtic Name: 3-azanyl-5-[3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[4-(1-azepanylsulfonyl)-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O4S/c20-13-15-16(23-24-19(15)21)6-5-9-22-17-8-7-14(12-18(17)26(27)28)31(29,30)25-10-3-1-2-4-11-25/h7-8,12,22H,1-6,9-11H2,(H3,21,23,24)