ethyl N-[(4S)-6-ethyl-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxidanylidene-octan-4-yl]carbamate

Systemtic Name: ethyl N-[(4S)-6-ethyl-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxidanylidene-octan-4-yl]carbamate Openeye Name: ethyl N-[(1S)-3-ethyl-1-isobutyl-2-oxo-3-(p-tolylsulfonyl)pentyl]carbamate CAS Name: N-[(4S)-6-ethyl-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxooctan-4-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(4S)-6-ethyl-2-methyl-6-(4-methylphenyl)sulfonyl-5-oxooctan-4-yl]carbamate Traditional Name: N-[(1S)-3-ethyl-1-isobutyl-2-keto-3-tosyl-pentyl]carbamic acid ethyl ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C(CC(C)C)NC(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(CC)(C(=O)[C@H](CC(C)C)NC(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H33NO5S/c1-7-21(8-2,28(25,26)17-12-10-16(6)11-13-17)19(23)18(14-15(4)5)22-20(24)27-9-3/h10-13,15,18H,7-9,14H2,1-6H3,(H,22,24)/t18-/m0/s1