[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C26H27N3O7S2 MolecularWeight: 557.63848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O7S2/c30-24(27-20-8-4-9-21(17-20)38(33,34)29-11-13-35-14-12-29)18-36-26(32)22(16-19-6-2-1-3-7-19)28-25(31)23-10-5-15-37-23/h1-10,15,17,22H,11-14,16,18H2,(H,27,30)(H,28,31)/t22-/m0/s1