N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Traditional Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-piperonyl-butyramide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5S2/c1-12(2)20(21(25)22-10-14-4-7-17-18(8-14)29-11-28-17)24-31(26,27)15-5-6-16-19(9-15)30-13(3)23-16/h4-9,12,20,24H,10-11H2,1-3H3,(H,22,25)