4-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-(diethylamino)-2-phenylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-(diethylamino)-2-phenylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CC)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H24N4O4S/c1-3-21(4-2)18(14-8-6-5-7-9-14)13-20-16-11-10-15(27(19,25)26)12-17(16)22(23)24/h5-12,18,20H,3-4,13H2,1-2H3,(H2,19,25,26)/t18-/m1/s1