1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(5-pyrrolidinosulfonyl-2-thienyl)ethanone Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

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