N,N-diethyl-4-[(1S)-1-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(1S)-1-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(1S)-1-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(1S)-1-[(3-nitro-2-pyridin-1-iumyl)amino]ethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(1S)-1-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(1S)-1-[(3-nitropyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Formula: C17H23N4O4S+ MolecularWeight: 379.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-4-20(5-2)26(24,25)15-10-8-14(9-11-15)13(3)19-17-16(21(22)23)7-6-12-18-17/h6-13H,4-5H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1