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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4S/c1-12-5-9-18(10-6-12)24(22,23)13-3-4-14(17-8-2-7-16)15(11-13)19(20)21/h3-4,11-12,17H,2,5-6,8-10H2,1H3