3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]propanenitrile

Systemtic Name: 3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]propanenitrile Openeye Name: 3-[2-nitro-4-(1-piperidylsulfonyl)anilino]propanenitrile CAS Name: 3-[2-nitro-4-(1-piperidinylsulfonyl)anilino]propanenitrile IUPAC Name: 3-(2-nitro-4-piperidin-1-ylsulfonylanilino)propanenitrile Traditional Name: 3-(2-nitro-4-piperidinosulfonyl-anilino)propionitrile Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c15-7-4-8-16-13-6-5-12(11-14(13)18(19)20)23(21,22)17-9-2-1-3-10-17/h5-6,11,16H,1-4,8-10H2