ethyl 4-[[2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonyl-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-mesyl-2-(m-toluoylamino)butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H31N3O6S/c1-4-30-21(27)24-11-8-17(9-12-24)22-20(26)18(10-13-31(3,28)29)23-19(25)16-7-5-6-15(2)14-16/h5-7,14,17-18H,4,8-13H2,1-3H3,(H,22,26)(H,23,25)