[4-(1-adamantylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(1-adamantylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(1-adamantylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(1-adamantylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1-adamantylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(1-adamantylcarbamoyl)phenyl] ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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