tert-butyl (1R,4S,5S,6R)-6-[[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]methyl]-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: tert-butyl (1R,4S,5S,6R)-6-[[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]methyl]-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: tert-butyl (1R,4S,5S,6R)-6-[[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]methyl]-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: (1R,4S,5S,6R)-6-[[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]methyl]-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4S,5S,6R)-6-[[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]methyl]-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: (1R,4S,5S,6R)-6-[[[amino-(mesitylsulfonylamino)methylene]amino]methyl]-4-methylol-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCC2C3C2C(N(C3)C(=O)OC(C)(C)C)CO)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NC[C@@H]2[C@@H]3[C@H]2[C@H](N(C3)C(=O)OC(C)(C)C)CO)N)C

InChI

InChI=1S/C22H34N4O5S/c1-12-7-13(2)19(14(3)8-12)32(29,30)25-20(23)24-9-15-16-10-26(17(11-27)18(15)16)21(28)31-22(4,5)6/h7-8,15-18,27H,9-11H2,1-6H3,(H3,23,24,25)/t15-,16-,17-,18+/m1/s1