4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-methylsulfonyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: N,N-diethyl-1-mesyl-4-piperonyl-piperazine-2-carboxamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CN(CCN1S(=O)(=O)C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1CN(CCN1S(=O)(=O)C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O5S/c1-4-20(5-2)18(22)15-12-19(8-9-21(15)27(3,23)24)11-14-6-7-16-17(10-14)26-13-25-16/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3