ethyl 4-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-methyl-2-(tosylamino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H29N3O5S/c1-5-27-19(24)22-12-10-21(11-13-22)18(23)17(14(2)3)20-28(25,26)16-8-6-15(4)7-9-16/h6-9,14,17,20H,5,10-13H2,1-4H3/t17-/m0/s1