methyl 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromanyl-benzoate Openeye Name: methyl 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromo-benzoate CAS Name: 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromobenzoate Traditional Name: 2-[[4-(1-adamantyl)phenyl]sulfonylamino]-5-bromo-benzoic acid methyl ester Formula: C24H26BrNO4S MolecularWeight: 504.43654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H26BrNO4S/c1-30-23(27)21-11-19(25)4-7-22(21)26-31(28,29)20-5-2-18(3-6-20)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17,26H,8-10,12-14H2,1H3