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

Systemtic Name: 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(3R)-3-(hydroxymethyl)-1-piperidyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3R)-3-(hydroxymethyl)-1-piperidinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(3R)-3-methylolpiperidino]-3-nitro-benzenesulfonamide Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5S/c1-11(2)16-24(22,23)13-5-6-14(15(8-13)18(20)21)17-7-3-4-12(9-17)10-19/h5-6,8,11-12,16,19H,3-4,7,9-10H2,1-2H3/t12-/m1/s1