1-[3-nitro-4-[(3-piperidin-1-ylsulfonylphenyl)amino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[(3-piperidin-1-ylsulfonylphenyl)amino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[3-(1-piperidylsulfonyl)anilino]phenyl]ethanone CAS Name: 1-[3-nitro-4-[3-(1-piperidinylsulfonyl)anilino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(3-piperidin-1-ylsulfonylanilino)phenyl]ethanone Traditional Name: 1-[3-nitro-4-(3-piperidinosulfonylanilino)phenyl]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14(23)15-8-9-18(19(12-15)22(24)25)20-16-6-5-7-17(13-16)28(26,27)21-10-3-2-4-11-21/h5-9,12-13,20H,2-4,10-11H2,1H3