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

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-nitro-4-piperidino-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])S(=O)(=O)N(C)C

InChI

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