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

Systemtic Name: N,N-diethyl-4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C23H33N4O5S+ MolecularWeight: 477.59692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c1-4-26(5-2)33(30,31)20-10-11-21(23(16-20)27(28)29)24-22(17-25-12-14-32-15-13-25)19-8-6-18(3)7-9-19/h6-11,16,22,24H,4-5,12-15,17H2,1-3H3/p+1/t22-/m1/s1