N-[(4-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(4-ethoxybenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C23H28ClN3O5S/c1-4-32-20-11-7-18(8-12-20)14-27-21(28)15-26(33(3,30)31)16-23(27,2)22(29)25-13-17-5-9-19(24)10-6-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)