4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoate

Systemtic Name: 4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoate Openeye Name: 4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoate CAS Name: 4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoate IUPAC Name: 4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]valerate Formula: C14H17N2O4S2- MolecularWeight: 341.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4S2/c1-8(2)6-12(14(17)18)16-22(19,20)10-4-5-11-13(7-10)21-9(3)15-11/h4-5,7-8,12,16H,6H2,1-3H3,(H,17,18)/p-1