N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 6-keto-N-[2-keto-2-(piperonylamino)ethyl]-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C18H24N4O7S MolecularWeight: 440.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N4O7S/c1-18(10-22(30(3,26)27)9-16(24)21(18)2)17(25)20-8-15(23)19-7-12-4-5-13-14(6-12)29-11-28-13/h4-6H,7-11H2,1-3H3,(H,19,23)(H,20,25)