(3S)-2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate

Systemtic Name: (3S)-2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate Openeye Name: (3S)-2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylate CAS Name: (3S)-2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-3-thiomorpholinecarboxylate IUPAC Name: (3S)-2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: (3S)-2,2-dimethyl-4-(4-propargyloxyphenyl)sulfonyl-thiomorpholine-3-carboxylate Formula: C16H18NO5S2- MolecularWeight: 368.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#C)C(=O)[O-])C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#C)C(=O)[O-])C

InChI

InChI=1S/C16H19NO5S2/c1-4-10-22-12-5-7-13(8-6-12)24(20,21)17-9-11-23-16(2,3)14(17)15(18)19/h1,5-8,14H,9-11H2,2-3H3,(H,18,19)/p-1/t14-/m0/s1