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

Systemtic Name: ethyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28ClN3O5S2 MolecularWeight: 478.02572

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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)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H28ClN3O5S2/c1-3-28-19(25)23-11-8-15(9-12-23)21-18(24)17(10-13-29-2)22-30(26,27)16-6-4-14(20)5-7-16/h4-7,15,17,22H,3,8-13H2,1-2H3,(H,21,24)/t17-/m0/s1