N-[4-(1-adamantyl)phenyl]-2-[(4-bromophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-bromophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[N-(benzenesulfonyl)-4-bromo-anilino]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-(N-besyl-4-bromo-anilino)acetamide Formula: C30H31BrN2O3S MolecularWeight: 579.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CN(C5=CC=C(C=C5)Br)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CN(C5=CC=C(C=C5)Br)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H31BrN2O3S/c31-25-8-12-27(13-9-25)33(37(35,36)28-4-2-1-3-5-28)20-29(34)32-26-10-6-24(7-11-26)30-17-21-14-22(18-30)16-23(15-21)19-30/h1-13,21-23H,14-20H2,(H,32,34)