ethyl 4-[(2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-4-mesyl-2-(m-toluoylamino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-4-29-20(26)23-11-9-22(10-12-23)19(25)17(8-13-30(3,27)28)21-18(24)16-7-5-6-15(2)14-16/h5-7,14,17H,4,8-13H2,1-3H3,(H,21,24)/t17-/m0/s1