2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[3-(3-methylphenyl)propyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[3-(3-methylphenyl)propyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[3-(m-tolyl)propyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(3-methylphenyl)propyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(3-methylphenyl)propyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[3-(m-tolyl)propyl]acetamide Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C29H38N2O3S/c1-21-5-3-6-22(13-21)7-4-12-30-28(32)20-31(35(2,33)34)27-10-8-26(9-11-27)29-17-23-14-24(18-29)16-25(15-23)19-29/h3,5-6,8-11,13,23-25H,4,7,12,14-20H2,1-2H3,(H,30,32)