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

Systemtic Name: methyl (5S,7R)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]adamantane-1-carboxylate Openeye Name: methyl (5S,7R)-3-[4-(p-tolylsulfonylamino)phenyl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[4-(tosylamino)phenyl]adamantane-1-carboxylic acid methyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C25H29NO4S/c1-17-3-9-22(10-4-17)31(28,29)26-21-7-5-20(6-8-21)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)30-2/h3-10,18-19,26H,11-16H2,1-2H3/t18-,19+,24?,25?