3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2S)-2-hydroxypropyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-])O

InChI

InChI=1S/C12H19N3O5S/c1-8(2)14-21(19,20)10-4-5-11(13-7-9(3)16)12(6-10)15(17)18/h4-6,8-9,13-14,16H,7H2,1-3H3/t9-/m0/s1