3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propanenitrile CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]propanenitrile IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]propanenitrile Traditional Name: 3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]propionitrile Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-12-4-2-9-18(11-12)24(22,23)13-5-6-14(17-8-3-7-16)15(10-13)19(20)21/h5-6,10,12,17H,2-4,8-9,11H2,1H3/t12-/m0/s1