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

Systemtic Name: 3-azanyl-5-[3-[methyl-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[N-methyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[N-methyl-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[N-methyl-4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile Formula: C20H27N7O4S MolecularWeight: 461.53788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O4S/c1-14-5-3-10-26(13-14)32(30,31)15-7-8-18(19(11-15)27(28)29)25(2)9-4-6-17-16(12-21)20(22)24-23-17/h7-8,11,14H,3-6,9-10,13H2,1-2H3,(H3,22,23,24)/t14-/m0/s1