2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide CAS Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide Traditional Name: 2-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide Formula: C29H37N3O5S MolecularWeight: 539.68618

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

COCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C29H37N3O5S/c1-37-12-11-30-28(34)25-5-3-4-6-26(25)31-27(33)19-32(38(2,35)36)24-9-7-23(8-10-24)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-10,20-22H,11-19H2,1-2H3,(H,30,34)(H,31,33)