(2-oxidanylideneazepan-3-yl) (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: (2-oxoazepan-3-yl) (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid (2-ketoazepan-3-yl) ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CCCCNC1=O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1CCCCNC1=O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H31N3O7S/c1-15(2)19(22(28)32-18-8-3-4-9-23-21(18)27)24-20(26)16-6-5-7-17(14-16)33(29,30)25-10-12-31-13-11-25/h5-7,14-15,18-19H,3-4,8-13H2,1-2H3,(H,23,27)(H,24,26)/t18?,19-/m0/s1