3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-(4-methoxy-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-(4-methoxy-3-morpholinosulfonyl-phenyl)propionamide Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSCC(=O)N)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSCC(=O)N)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H23N3O6S2/c1-24-13-3-2-12(18-16(21)4-9-26-11-15(17)20)10-14(13)27(22,23)19-5-7-25-8-6-19/h2-3,10H,4-9,11H2,1H3,(H2,17,20)(H,18,21)