N-[(4-chlorophenyl)methyl]-1-(3-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(3-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(3-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(3-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(3-ethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(3-ethylphenyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H26ClN3O4S/c1-4-16-6-5-7-19(12-16)26-20(27)14-25(31(3,29)30)15-22(26,2)21(28)24-13-17-8-10-18(23)11-9-17/h5-12H,4,13-15H2,1-3H3,(H,24,28)