4-(dimethylamino)-3-nitro-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[[2-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[[2-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-(2-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=CC=C2S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-23(2)18-11-10-16(14-19(18)25(27)28)21(26)22-15-17-8-4-5-9-20(17)31(29,30)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,26)