N-[(2S)-3-butoxy-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-3-butoxy-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-3-butoxy-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-3-butoxy-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-3-butoxy-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-3-butoxy-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)-4-methyl-benzenesulfonamide Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCOC[C@H](CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H28N2O7S/c1-4-5-12-30-15-18(24)14-22(31(27,28)19-9-6-16(2)7-10-19)20-13-17(23(25)26)8-11-21(20)29-3/h6-11,13,18,24H,4-5,12,14-15H2,1-3H3/t18-/m0/s1