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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@H](C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-9-11-22(12-10-15)29(27,28)17-7-8-18(19(13-17)23(25)26)21-14-20(24)16-5-3-2-4-6-16/h2-8,13,15,20-21,24H,9-12,14H2,1H3/t20-/m1/s1