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

Systemtic Name: 1-[3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]phenyl]ethanone Openeye Name: 1-[3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]phenyl]ethanone CAS Name: 1-[3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]phenyl]ethanone IUPAC Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]phenyl]ethanone Traditional Name: 1-[3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]phenyl]ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14-5-4-10-22(13-14)29(27,28)18-8-9-19(20(12-18)23(25)26)21-17-7-3-6-16(11-17)15(2)24/h3,6-9,11-12,14,21H,4-5,10,13H2,1-2H3/t14-/m0/s1