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

Systemtic Name: N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclopentyl-1-(2,3-dimethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclopentyl-1-(2,3-dimethylphenyl)-4-esyl-6-keto-2-methyl-piperazine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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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(=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H31N3O4S/c1-5-29(27,28)23-13-19(25)24(18-12-8-9-15(2)16(18)3)21(4,14-23)20(26)22-17-10-6-7-11-17/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3,(H,22,26)