(3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: (3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: (3S,6S)-6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CN

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](SC([C@@H]2C(=O)NO)(C)C)CN

InChI

InChI=1S/C18H25N3O5S2/c1-4-5-10-26-13-6-8-15(9-7-13)28(24,25)21-12-14(11-19)27-18(2,3)16(21)17(22)20-23/h6-9,14,16,23H,10-12,19H2,1-3H3,(H,20,22)/t14-,16-/m0/s1