[3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]methanol

Systemtic Name: [3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]methanol Openeye Name: [3-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-anilino]phenyl]methanol CAS Name: [3-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitroanilino]phenyl]methanol IUPAC Name: [3-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitroanilino]phenyl]methanol Traditional Name: [3-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-anilino]phenyl]methanol Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CO)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CO)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-14-8-15(2)12-22(11-14)29(27,28)18-6-7-19(20(10-18)23(25)26)21-17-5-3-4-16(9-17)13-24/h3-7,9-10,14-15,21,24H,8,11-13H2,1-2H3