N-(1-adamantyl)-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-(1-adamantyl)-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-(1-adamantyl)-4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-(1-adamantyl)-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(1-adamantyl)-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-(1-adamantyl)-4-[(3-chloro-N-mesyl-anilino)methyl]benzamide Formula: C25H29ClN2O3S MolecularWeight: 473.02736

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H29ClN2O3S/c1-32(30,31)28(23-4-2-3-22(26)12-23)16-17-5-7-21(8-6-17)24(29)27-25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,27,29)