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

Systemtic Name: N-(1-adamantyl)-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-(1-adamantyl)-4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-(1-adamantyl)-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(1-adamantyl)-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-(1-adamantyl)-4-[(N-mesyl-3-methyl-anilino)methyl]benzamide Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C26H32N2O3S/c1-18-4-3-5-24(10-18)28(32(2,30)31)17-19-6-8-23(9-7-19)25(29)27-26-14-20-11-21(15-26)13-22(12-20)16-26/h3-10,20-22H,11-17H2,1-2H3,(H,27,29)