4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-20(2)17(12-4-6-13(26-3)7-5-12)11-19-15-9-8-14(27(18,24)25)10-16(15)21(22)23/h4-10,17,19H,11H2,1-3H3,(H2,18,24,25)/t17-/m1/s1