N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]benzamide Formula: C24H29N5O4S2 MolecularWeight: 515.64816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H29N5O4S2/c1-17(30)28-11-13-29(14-12-28)35(32,33)19-7-5-6-18(16-19)24(31)27-22(10-15-34-2)23-25-20-8-3-4-9-21(20)26-23/h3-9,16,22H,10-15H2,1-2H3,(H,25,26)(H,27,31)/t22-/m0/s1