N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzenesulfonamide Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N4O4S2/c1-17(28)18-6-8-19(9-7-18)33(30,31)24-11-10-23(29)27-14-12-26(13-15-27)16-22-25-20-4-2-3-5-21(20)32-22/h2-9,24H,10-16H2,1H3/p+1