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

Systemtic Name: 3-methyl-2-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Openeye Name: 3-methyl-2-nitro-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]benzamide CAS Name: 3-methyl-2-nitro-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]benzamide IUPAC Name: 3-methyl-2-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide Traditional Name: 3-methyl-2-nitro-N-[(5-piperidinosulfonyl-2-thienyl)methyl]benzamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O5S2/c1-13-6-5-7-15(17(13)21(23)24)18(22)19-12-14-8-9-16(27-14)28(25,26)20-10-3-2-4-11-20/h5-9H,2-4,10-12H2,1H3,(H,19,22)