1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

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