N-[[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidin-2-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidin-2-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(5-nitrobenzothiophene-2-carbonyl)-2-piperidyl]methyl]methanesulfonamide CAS Name: N-[[1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-2-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(5-nitro-1-benzothiophene-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(5-nitrobenzothiophene-2-carbonyl)-2-piperidyl]methyl]methanesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CCCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NCC1CCCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S2/c1-26(23,24)17-10-13-4-2-3-7-18(13)16(20)15-9-11-8-12(19(21)22)5-6-14(11)25-15/h5-6,8-9,13,17H,2-4,7,10H2,1H3