[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C22H27N4O3S3+ MolecularWeight: 491.66978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H26N4O3S3/c27-22(17-5-3-9-26(15-17)32(28,29)21-8-4-14-30-21)25-12-10-24(11-13-25)16-20-23-18-6-1-2-7-19(18)31-20/h1-2,4,6-8,14,17H,3,5,9-13,15-16H2/p+1/t17-/m0/s1