4,5-dimethoxy-2-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O7S/c1-30-19-12-17(18(24(26)27)13-20(19)31-2)21(25)22-14-15-6-8-16(9-7-15)32(28,29)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,25)