5-azanyl-1-[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1-benzylsulfonylpiperidine-4-carbonyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1-benzylsulfonylpiperidine-4-carbonyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1-benzylsulfonylisonipecotoyl)pyrazole-4-carbonitrile Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O3S/c18-10-15-11-20-22(16(15)19)17(23)14-6-8-21(9-7-14)26(24,25)12-13-4-2-1-3-5-13/h1-5,11,14H,6-9,12,19H2