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

Systemtic Name: (1R)-2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]-1-phenyl-ethanol CAS Name: (1R)-2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-1-phenylethanol IUPAC Name: (1R)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]-1-phenylethanol Traditional Name: (1R)-2-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]-1-phenyl-ethanol Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15-6-5-11-22(14-15)29(27,28)17-9-10-18(19(12-17)23(25)26)21-13-20(24)16-7-3-2-4-8-16/h2-4,7-10,12,15,20-21,24H,5-6,11,13-14H2,1H3/t15-,20-/m0/s1