(2S)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-N-ethyl-propanamide CAS Name: (2S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-ethylpropanamide IUPAC Name: (2S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-ethylpropanamide Traditional Name: (2S)-2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-N-ethyl-propionamide Formula: C12H16ClN3O5S MolecularWeight: 349.79054

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C12H16ClN3O5S/c1-4-14-12(17)8(3)15-22(20,21)9-5-10(13)7(2)11(6-9)16(18)19/h5-6,8,15H,4H2,1-3H3,(H,14,17)/t8-/m0/s1