methyl 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylate Traditional Name: 2,2-dimethyl-4-[4-[4-(methylamino)but-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCNC)C(=O)OC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCNC)C(=O)OC)C

InChI

InChI=1S/C19H26N2O5S2/c1-19(2)17(18(22)25-4)21(12-14-27-19)28(23,24)16-9-7-15(8-10-16)26-13-6-5-11-20-3/h7-10,17,20H,11-14H2,1-4H3