(2S)-2-acetamido-N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-(4-ethoxy-3-morpholinosulfonyl-phenyl)-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[4-ethoxy-3-(4-morpholinylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-(4-ethoxy-3-morpholinosulfonyl-phenyl)-3-methyl-butyramide Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H29N3O6S/c1-5-28-16-7-6-15(21-19(24)18(13(2)3)20-14(4)23)12-17(16)29(25,26)22-8-10-27-11-9-22/h6-7,12-13,18H,5,8-11H2,1-4H3,(H,20,23)(H,21,24)/t18-/m0/s1