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

Systemtic Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Openeye Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone CAS Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone Formula: C22H26N4O5S4 MolecularWeight: 554.72564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H26N4O5S4/c1-34(28,29)18-8-4-7-17-20(18)23-22(33-17)25-13-11-24(12-14-25)21(27)16-6-2-3-10-26(16)35(30,31)19-9-5-15-32-19/h4-5,7-9,15-16H,2-3,6,10-14H2,1H3