methyl 4-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H32N2O5S/c1-34-26(31)21-3-7-23(8-4-21)28-25(30)17-29(35(2,32)33)24-9-5-22(6-10-24)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H,28,30)