N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]butanediamide

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]butanediamide Openeye Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[[(2R)-2-oxolanyl]methyl]butanediamide IUPAC Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]butanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]succinamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCC3CCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C17H21N3O5S2/c1-27(23,24)12-4-5-13-14(9-12)26-17(19-13)20-16(22)7-6-15(21)18-10-11-3-2-8-25-11/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,18,21)(H,19,20,22)/t11-/m1/s1