N-[4-(1-adamantyl)phenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-adamantyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C29H38N2O3S/c1-20-6-7-21(2)27(13-20)31(35(3,33)34)12-4-5-28(32)30-26-10-8-25(9-11-26)29-17-22-14-23(18-29)16-24(15-22)19-29/h6-11,13,22-24H,4-5,12,14-19H2,1-3H3,(H,30,32)