3-azanyl-5-[5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C21H29N7O4S MolecularWeight: 475.56446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O4S/c1-15-6-5-11-27(14-15)33(31,32)16-8-9-19(20(12-16)28(29)30)24-10-4-2-3-7-18-17(13-22)21(23)26-25-18/h8-9,12,15,24H,2-7,10-11,14H2,1H3,(H3,23,25,26)/t15-/m0/s1