[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C29H36N2O7S MolecularWeight: 556.67034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C29H36N2O7S/c1-19-10-25(26(32)17-38-27(33)28-13-21-11-22(14-28)16-29(34,15-21)18-28)20(2)31(19)23-4-3-5-24(12-23)39(35,36)30-6-8-37-9-7-30/h3-5,10,12,21-22,34H,6-9,11,13-18H2,1-2H3