methyl 2-(aminomethyl)-3-azanyl-2-(4-phenoxyphenyl)sulfonyl-propanoate

Systemtic Name: methyl 2-(aminomethyl)-3-azanyl-2-(4-phenoxyphenyl)sulfonyl-propanoate Openeye Name: methyl 3-amino-2-(aminomethyl)-2-(4-phenoxyphenyl)sulfonyl-propanoate CAS Name: 3-amino-2-(aminomethyl)-2-(4-phenoxyphenyl)sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-amino-2-(aminomethyl)-2-(4-phenoxyphenyl)sulfonylpropanoate Traditional Name: 3-amino-2-(aminomethyl)-2-(4-phenoxyphenyl)sulfonyl-propionic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN)(CN)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CN)(CN)S(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-23-16(20)17(11-18,12-19)25(21,22)15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-10H,11-12,18-19H2,1H3