ethyl 3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O5S/c1-4-36-28(33)25-6-5-7-26(19(25)2)30-27(32)18-31(37(3,34)35)24-10-8-23(9-11-24)29-15-20-12-21(16-29)14-22(13-20)17-29/h5-11,20-22H,4,12-18H2,1-3H3,(H,30,32)