[(2S,3S,4R,5R,6S)-3,4-diacetyloxy-5-benzamido-6-methoxy-oxan-2-yl]methanesulfonic acid

Systemtic Name: [(2S,3S,4R,5R,6S)-3,4-diacetyloxy-5-benzamido-6-methoxy-oxan-2-yl]methanesulfonic acid Openeye Name: [(2S,3S,4R,5R,6S)-3,4-diacetoxy-5-benzamido-6-methoxy-tetrahydropyran-2-yl]methanesulfonic acid CAS Name: [(2S,3S,4R,5R,6S)-3,4-diacetyloxy-5-benzamido-6-methoxy-2-oxanyl]methanesulfonic acid IUPAC Name: [(2S,3S,4R,5R,6S)-3,4-diacetyloxy-5-benzamido-6-methoxyoxan-2-yl]methanesulfonic acid Traditional Name: [(2S,3S,4R,5R,6S)-3,4-diacetoxy-5-benzamido-6-methoxy-tetrahydropyran-2-yl]methanesulfonic acid Formula: C18H23NO10S MolecularWeight: 445.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)NC(=O)C2=CC=CC=C2)OC)CS(=O)(=O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)NC(=O)C2=CC=CC=C2)OC)CS(=O)(=O)O

InChI

InChI=1S/C18H23NO10S/c1-10(20)27-15-13(9-30(23,24)25)29-18(26-3)14(16(15)28-11(2)21)19-17(22)12-7-5-4-6-8-12/h4-8,13-16,18H,9H2,1-3H3,(H,19,22)(H,23,24,25)/t13-,14-,15-,16-,18+/m1/s1