(2S)-N,N-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N,N-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N,N-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N,N-dimethyl-1-(4-methyl-3-nitrophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N,N-dimethyl-1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N,N-dimethyl-1-(4-methyl-3-nitro-phenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-10-6-7-11(9-13(10)17(19)20)23(21,22)16-8-4-5-12(16)14(18)15(2)3/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m0/s1