(2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl]-N,N-dimethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl]-N,N-dimethylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]-N,N-dimethyl-pyrrolidine-2-carboxamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C(=O)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H]3C(=O)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-14-7-9-17(15(2)12-14)22-31(29,30)16-8-10-18(20(13-16)25(27)28)24-11-5-6-19(24)21(26)23(3)4/h7-10,12-13,19,22H,5-6,11H2,1-4H3/t19-/m0/s1