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

Systemtic Name: N-cyclopentyl-1-[(4-ethylphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclopentyl-1-[(4-ethylphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclopentyl-1-[(4-ethylphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclopentyl-1-[(4-ethylphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclopentyl-1-(4-ethylbenzyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=O)CN(CC2(C)C(=O)NC3CCCC3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=O)CN(CC2(C)C(=O)NC3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-4-16-9-11-17(12-10-16)13-24-19(25)14-23(29(3,27)28)15-21(24,2)20(26)22-18-7-5-6-8-18/h9-12,18H,4-8,13-15H2,1-3H3,(H,22,26)