tert-butyl 4-[[9,9-diethyl-2-methyl-10,10-bis(oxidanylidene)thioxanthen-3-yl]sulfonylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[9,9-diethyl-2-methyl-10,10-bis(oxidanylidene)thioxanthen-3-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(9,9-diethyl-2-methyl-10,10-dioxo-thioxanthen-3-yl)sulfonylamino]piperidine-1-carboxylate CAS Name: 4-[(9,9-diethyl-2-methyl-10,10-dioxo-3-thioxanthenyl)sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(9,9-diethyl-2-methyl-10,10-dioxothioxanthen-3-yl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[(9,9-diethyl-10,10-diketo-2-methyl-thioxanthen-3-yl)sulfonylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H38N2O6S2 MolecularWeight: 562.74112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2S(=O)(=O)C3=CC(=C(C=C31)C)S(=O)(=O)NC4CCN(CC4)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2S(=O)(=O)C3=CC(=C(C=C31)C)S(=O)(=O)NC4CCN(CC4)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C28H38N2O6S2/c1-7-28(8-2)21-11-9-10-12-23(21)37(32,33)25-18-24(19(3)17-22(25)28)38(34,35)29-20-13-15-30(16-14-20)26(31)36-27(4,5)6/h9-12,17-18,20,29H,7-8,13-16H2,1-6H3