4-(dimethylamino)-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-23(2)19-11-8-17(14-20(19)25(27)28)21(26)22-15-16-6-9-18(10-7-16)31(29,30)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,26)