ethyl 5-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C28H33ClN2O5S MolecularWeight: 545.09002

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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)Cl

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)Cl

InChI

InChI=1S/C28H33ClN2O5S/c1-3-36-27(33)24-13-22(6-9-25(24)29)30-26(32)17-31(37(2,34)35)23-7-4-21(5-8-23)28-14-18-10-19(15-28)12-20(11-18)16-28/h4-9,13,18-20H,3,10-12,14-17H2,1-2H3,(H,30,32)