[4-(4-methylpiperidin-1-yl)-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzoate Openeye Name: [4-(4-methyl-1-piperidyl)-1,1-dioxo-thiolan-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(4-methyl-1-piperidinyl)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1,1-diketo-4-(4-methylpiperidino)thiolan-3-yl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2CS(=O)(=O)CC2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6S/c1-12-5-7-18(8-6-12)15-10-26(23,24)11-16(15)25-17(20)13-3-2-4-14(9-13)19(21)22/h2-4,9,12,15-16H,5-8,10-11H2,1H3