4-methoxy-3-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(5-piperidinosulfonyl-2-thienyl)methyl]benzamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S2/c1-27-16-7-5-13(11-15(16)21(23)24)18(22)19-12-14-6-8-17(28-14)29(25,26)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,22)