(2S)-N'-[2-[4-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylpiperazin-1-yl]ethyl]-2-methyl-pentanediamide

Systemtic Name: (2S)-N'-[2-[4-(3-bromanyl-4-piperidin-4-yloxy-phenyl)sulfonylpiperazin-1-yl]ethyl]-2-methyl-pentanediamide Openeye Name: (2S)-N'-[2-[4-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-methyl-pentanediamide CAS Name: (2S)-N'-[2-[4-[3-bromo-4-(4-piperidinyloxy)phenyl]sulfonyl-1-piperazinyl]ethyl]-2-methylpentanediamide IUPAC Name: (2S)-N'-[2-[4-(3-bromo-4-piperidin-4-yloxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylpentanediamide Traditional Name: (2S)-N'-[2-[4-[3-bromo-4-(4-piperidyloxy)phenyl]sulfonylpiperazino]ethyl]-2-methyl-glutaramide Formula: C23H36BrN5O5S MolecularWeight: 574.53144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)C(=O)N

Isomeric SMILES

C[C@@H](CCC(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)C(=O)N

InChI

InChI=1S/C23H36BrN5O5S/c1-17(23(25)31)2-5-22(30)27-10-11-28-12-14-29(15-13-28)35(32,33)19-3-4-21(20(24)16-19)34-18-6-8-26-9-7-18/h3-4,16-18,26H,2,5-15H2,1H3,(H2,25,31)(H,27,30)/t17-/m0/s1