ethyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H31N3O5S2/c1-4-28-20(25)23-12-9-16(10-13-23)21-19(24)18(11-14-29-3)22-30(26,27)17-7-5-15(2)6-8-17/h5-8,16,18,22H,4,9-14H2,1-3H3,(H,21,24)