tert-butyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 2,2-dimethyl-4-[4-(4-pyridyloxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-[4-(4-pyridyloxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H28N2O5S2/c1-21(2,3)29-20(25)19-22(4,5)30-15-14-24(19)31(26,27)18-8-6-16(7-9-18)28-17-10-12-23-13-11-17/h6-13,19H,14-15H2,1-5H3