[4-(4-methylpiperidin-1-yl)-1,1-bis(oxidanylidene)thiolan-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)-1,1-bis(oxidanylidene)thiolan-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(4-methyl-1-piperidyl)-1,1-dioxo-thiolan-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-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] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [1,1-diketo-4-(4-methylpiperidino)thiolan-3-yl] ester Formula: C17H21ClN2O6S MolecularWeight: 416.87644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O6S/c1-11-4-6-19(7-5-11)15-9-27(24,25)10-16(15)26-17(21)12-2-3-13(18)14(8-12)20(22)23/h2-3,8,11,15-16H,4-7,9-10H2,1H3