4-methylsulfanyl-2-[[2-(morpholin-4-ylsulfonylmethyl)-3-phenyl-propanoyl]amino]butanamide

Systemtic Name: 4-methylsulfanyl-2-[[2-(morpholin-4-ylsulfonylmethyl)-3-phenyl-propanoyl]amino]butanamide Openeye Name: 2-[(2-benzyl-3-morpholinosulfonyl-propanoyl)amino]-4-methylsulfanyl-butanamide CAS Name: 4-(methylthio)-2-[[2-(4-morpholinylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]butanamide IUPAC Name: 2-[(2-benzyl-3-morpholin-4-ylsulfonylpropanoyl)amino]-4-methylsulfanylbutanamide Traditional Name: 2-[(2-benzyl-3-morpholinosulfonyl-propanoyl)amino]-4-(methylthio)butyramide Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCOCC2

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H29N3O5S2/c1-28-12-7-17(18(20)23)21-19(24)16(13-15-5-3-2-4-6-15)14-29(25,26)22-8-10-27-11-9-22/h2-6,16-17H,7-14H2,1H3,(H2,20,23)(H,21,24)