tert-butyl 4-(4-iodophenyl)sulfonyl-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-iodophenyl)sulfonyl-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-iodophenyl)sulfonyl-2-oxo-3-(4-piperidylmethyl)piperazine-1-carboxylate CAS Name: 4-(4-iodophenyl)sulfonyl-2-oxo-3-(4-piperidinylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-iodophenyl)sulfonyl-2-oxo-3-(piperidin-4-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(4-iodophenyl)sulfonyl-2-keto-3-(4-piperidylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30IN3O5S MolecularWeight: 563.44947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H30IN3O5S/c1-21(2,3)30-20(27)24-12-13-25(31(28,29)17-6-4-16(22)5-7-17)18(19(24)26)14-15-8-10-23-11-9-15/h4-7,15,18,23H,8-14H2,1-3H3