(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)sulfonylamino]pentanediamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)sulfonylamino]pentanediamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)sulfonylamino]pentanediamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)sulfonylamino]pentanediamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)sulfonylamino]pentanediamide Traditional Name: (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-piperonyl-glutaramide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCC(=O)N)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H](CCC(=O)N)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H25N3O6S/c1-13-3-7-19(14(2)9-13)31(27,28)24-16(5-8-20(22)25)21(26)23-11-15-4-6-17-18(10-15)30-12-29-17/h3-4,6-7,9-10,16,24H,5,8,11-12H2,1-2H3,(H2,22,25)(H,23,26)/t16-/m1/s1