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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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