(S)-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]-phenyl-methanol

Systemtic Name: (S)-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]-phenyl-methanol Openeye Name: (S)-[1-(4-methylsulfonyl-2-nitro-phenyl)-4-piperidyl]-phenyl-methanol CAS Name: (S)-[1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinyl]-phenylmethanol IUPAC Name: (S)-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-phenylmethanol Traditional Name: (S)-[1-(4-mesyl-2-nitro-phenyl)-4-piperidyl]-phenyl-methanol Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)[C@@H](C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c1-27(25,26)16-7-8-17(18(13-16)21(23)24)20-11-9-15(10-12-20)19(22)14-5-3-2-4-6-14/h2-8,13,15,19,22H,9-12H2,1H3/t19-/m1/s1