N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])S(=O)(=O)N(C)C

InChI

InChI=1S/C20H24N4O5S/c1-14-6-8-16(13-19(14)30(28,29)22(2)3)21-20(25)15-7-9-17(18(12-15)24(26)27)23-10-4-5-11-23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)