3-nitro-4-[(3R)-3-oxidanylpiperidin-1-yl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[(3R)-3-oxidanylpiperidin-1-yl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(3R)-3-hydroxy-1-piperidyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3R)-3-hydroxy-1-piperidinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(3R)-3-hydroxypiperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(3R)-3-hydroxypiperidino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H](C2)O)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O5S/c1-10(2)15-23(21,22)12-5-6-13(14(8-12)17(19)20)16-7-3-4-11(18)9-16/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3/t11-/m1/s1