1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-6-keto-4-mesyl-2-methyl-1-piperonyl-piperazine-2-carboxamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1(CN(CC(=O)N1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O6S/c1-22(21(27)23-11-16-6-4-3-5-7-16)14-24(32(2,28)29)13-20(26)25(22)12-17-8-9-18-19(10-17)31-15-30-18/h3-10H,11-15H2,1-2H3,(H,23,27)