N-[(2S)-2-(dimethylamino)-2-pyridin-3-yl-ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-pyridin-3-yl-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(3-pyridyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(3-pyridinyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-pyridin-3-ylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(3-pyridyl)ethyl]-4-nitro-benzenesulfonamide Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S/c1-18(2)15(12-4-3-9-16-10-12)11-17-24(22,23)14-7-5-13(6-8-14)19(20)21/h3-10,15,17H,11H2,1-2H3/t15-/m1/s1