methyl 5-nitro-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(2-thienylsulfonylamino)-1-piperidyl]benzoate CAS Name: 5-nitro-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-(2-thienylsulfonylamino)piperidino]benzoic acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19N3O6S2/c1-26-17(21)14-11-13(20(22)23)4-5-15(14)19-8-6-12(7-9-19)18-28(24,25)16-3-2-10-27-16/h2-5,10-12,18H,6-9H2,1H3