methyl 2-(tert-butylcarbamoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate

Systemtic Name: methyl 2-(tert-butylcarbamoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate Openeye Name: methyl 2-(tert-butylcarbamoylamino)-3-(4-phenylsulfanylphenyl)sulfonyl-propanoate CAS Name: 2-[[(tert-butylamino)-oxomethyl]amino]-3-[4-(phenylthio)phenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 2-(tert-butylcarbamoylamino)-3-(4-phenylsulfanylphenyl)sulfonylpropanoate Traditional Name: 2-(tert-butylcarbamoylamino)-3-[4-(phenylthio)phenyl]sulfonyl-propionic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O5S2/c1-21(2,3)23-20(25)22-18(19(24)28-4)14-30(26,27)17-12-10-16(11-13-17)29-15-8-6-5-7-9-15/h5-13,18H,14H2,1-4H3,(H2,22,23,25)