methyl (2S)-3-methyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H24N2O5S2/c1-11(2)14(16(20)23-3)17-15(19)12-6-8-18(9-7-12)25(21,22)13-5-4-10-24-13/h4-5,10-12,14H,6-9H2,1-3H3,(H,17,19)/t14-/m0/s1