N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-ethylsulfonyl-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-ethylsulfonyl-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-ethylsulfonyl-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-ethylsulfonyl-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclopentyl-1-(3,5-dimethoxyphenyl)-4-esyl-6-keto-2-methyl-piperazine-2-carboxamide Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCC2)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCC2)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H31N3O6S/c1-5-31(27,28)23-13-19(25)24(16-10-17(29-3)12-18(11-16)30-4)21(2,14-23)20(26)22-15-8-6-7-9-15/h10-12,15H,5-9,13-14H2,1-4H3,(H,22,26)