N-[(1S)-1-(furan-2-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide

Systemtic Name: N-[(1S)-1-(furan-2-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide Openeye Name: N-[(1S)-1-(2-furyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide CAS Name: N-[(1S)-1-(2-furanyl)ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-5-phenylbenzamide IUPAC Name: N-[(1S)-1-(furan-2-yl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenylbenzamide Traditional Name: N-[(1S)-1-(2-furyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide Formula: C24H28N3O4S+ MolecularWeight: 454.56182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@@H](C1=CC=CO1)NC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27N3O4S/c1-18(23-9-6-14-31-23)25-24(28)21-15-20(19-7-4-3-5-8-19)16-22(17-21)32(29,30)27-12-10-26(2)11-13-27/h3-9,14-18H,10-13H2,1-2H3,(H,25,28)/p+1/t18-/m0/s1