[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5)S(=O)(=O)N(C)C

InChI

InChI=1S/C28H34N2O5S/c1-19-9-10-23(12-24(19)36(33,34)30(2)3)29-25(31)17-35-26(32)28-15-20-11-21(16-28)14-27(13-20,18-28)22-7-5-4-6-8-22/h4-10,12,20-21H,11,13-18H2,1-3H3,(H,29,31)/t20-,21+,27?,28?