N,N-diethyl-3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(2S)-2-hydroxypropyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2S)-2-hydroxypropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(2S)-2-hydroxypropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(2S)-2-hydroxypropyl]amino]-3-nitro-benzenesulfonamide Formula: C13H21N3O5S MolecularWeight: 331.38794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O5S/c1-4-15(5-2)22(20,21)11-6-7-12(14-9-10(3)17)13(8-11)16(18)19/h6-8,10,14,17H,4-5,9H2,1-3H3/t10-/m0/s1