2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(2-methylphenyl)-phenyl-methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(2-methylphenyl)-phenyl-methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[o-tolyl(phenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[o-tolyl(phenyl)methyl]acetamide Formula: C33H38N2O3S MolecularWeight: 542.73142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

InChI

InChI=1S/C33H38N2O3S/c1-23-8-6-7-11-30(23)32(27-9-4-3-5-10-27)34-31(36)22-35(39(2,37)38)29-14-12-28(13-15-29)33-19-24-16-25(20-33)18-26(17-24)21-33/h3-15,24-26,32H,16-22H2,1-2H3,(H,34,36)