1-[(2-bromophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-[(2-bromophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-1-[(2-bromophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-[(2-bromophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-1-[(2-bromophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-1-(2-bromobenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1CC2=CC=CC=C2Br)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1(CN(CC(=O)N1CC2=CC=CC=C2Br)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O4S/c1-21(20(27)23-12-16-8-4-3-5-9-16)15-24(30(2,28)29)14-19(26)25(21)13-17-10-6-7-11-18(17)22/h3-11H,12-15H2,1-2H3,(H,23,27)