2-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-(4-methyl-3-piperidinosulfonyl-phenyl)-5-nitro-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=C(C=CC(=C2)[N+](=O)[O-])N(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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