N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-(1-methyl-4-pyrazolyl)methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=N1)/C=N/NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N5O3S/c1-21-13-14(12-19-21)11-18-20-17(23)15-6-5-7-16(10-15)26(24,25)22-8-3-2-4-9-22/h5-7,10-13H,2-4,8-9H2,1H3,(H,20,23)/b18-11+