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

Systemtic Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Openeye Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methanone IUPAC Name: [4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone Traditional Name: [4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methanone Formula: C21H24N4O5S4 MolecularWeight: 540.69906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H24N4O5S4/c1-33(27,28)17-7-2-6-16-19(17)22-21(32-16)24-12-10-23(11-13-24)20(26)15-5-3-9-25(15)34(29,30)18-8-4-14-31-18/h2,4,6-8,14-15H,3,5,9-13H2,1H3