methyl (2R)-3-(1H-indol-3-yl)-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O5S2/c1-30-22(27)19(13-16-14-23-18-6-3-2-5-17(16)18)24-21(26)15-8-10-25(11-9-15)32(28,29)20-7-4-12-31-20/h2-7,12,14-15,19,23H,8-11,13H2,1H3,(H,24,26)/t19-/m1/s1