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(5S,7R)-3-[(4-methylphenyl)sulfonylamino]adamantane-1-carboxylate

(5S,7R)-3-[(4-methylphenyl)sulfonylamino]adamantane-1-carboxylate

Systemtic Name:(5S,7R)-3-[(4-methylphenyl)sulfonylamino]adamantane-1-carboxylate
Openeye Name:(5S,7R)-3-(p-tolylsulfonylamino)adamantane-1-carboxylate
CAS Name:(5S,7R)-3-[(4-methylphenyl)sulfonylamino]-1-adamantanecarboxylate
IUPAC Name:(5S,7R)-3-[(4-methylphenyl)sulfonylamino]adamantane-1-carboxylate
Traditional Name:(5S,7R)-3-(tosylamino)adamantane-1-carboxylate
Formula: C18H22NO4S-
MolecularWeight: 348.43658
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)(C3)C(=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC23C[C@@H]4C[C@H](C2)CC(C4)(C3)C(=O)[O-]


InChI

InChI=1S/C18H23NO4S/c1-12-2-4-15(5-3-12)24(22,23)19-18-9-13-6-14(10-18)8-17(7-13,11-18)16(20)21/h2-5,13-14,19H,6-11H2,1H3,(H,20,21)/p-1/t13-,14+,17?,18?


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