methyl (5S,6R)-5,7,7-trimethyl-6-[(4-nitrophenyl)sulfonylamino]oct-3-ynoate

Systemtic Name: methyl (5S,6R)-5,7,7-trimethyl-6-[(4-nitrophenyl)sulfonylamino]oct-3-ynoate Openeye Name: methyl (5S,6R)-5,7,7-trimethyl-6-[(4-nitrophenyl)sulfonylamino]oct-3-ynoate CAS Name: (5S,6R)-5,7,7-trimethyl-6-[(4-nitrophenyl)sulfonylamino]-3-octynoic acid methyl ester IUPAC Name: methyl (5S,6R)-5,7,7-trimethyl-6-[(4-nitrophenyl)sulfonylamino]oct-3-ynoate Traditional Name: (5S,6R)-5,7,7-trimethyl-6-(nosylamino)oct-3-ynoic acid methyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCC(=O)OC)C(C(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C#CCC(=O)OC)[C@H](C(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6S/c1-13(7-6-8-16(21)26-5)17(18(2,3)4)19-27(24,25)15-11-9-14(10-12-15)20(22)23/h9-13,17,19H,8H2,1-5H3/t13-,17+/m0/s1