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

Systemtic Name: 3-azanyl-5-[5-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[4-(1-azepanylsulfonyl)-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C21H29N7O4S MolecularWeight: 475.56446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O4S/c22-15-17-18(25-26-21(17)23)8-4-3-5-11-24-19-10-9-16(14-20(19)28(29)30)33(31,32)27-12-6-1-2-7-13-27/h9-10,14,24H,1-8,11-13H2,(H3,23,25,26)