ethyl 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonylamino]butanoate

Systemtic Name: ethyl 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonylamino]butanoate Openeye Name: ethyl 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonylamino]butanoate CAS Name: 3-methyl-2-[[4-(phenylthio)phenyl]sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(4-phenylsulfanylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[4-(phenylthio)phenyl]sulfonylamino]butyric acid ethyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C19H23NO4S2/c1-4-24-19(21)18(14(2)3)20-26(22,23)17-12-10-16(11-13-17)25-15-8-6-5-7-9-15/h5-14,18,20H,4H2,1-3H3