3-[[2,6-bis(chloranyl)phenyl]methyl-(4-methylphenyl)sulfonyl-amino]propanoate

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl-(4-methylphenyl)sulfonyl-amino]propanoate Openeye Name: 3-[(2,6-dichlorophenyl)methyl-(p-tolylsulfonyl)amino]propanoate CAS Name: 3-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,6-dichlorobenzyl)-tosyl-amino]propionate Formula: C17H16Cl2NO4S- MolecularWeight: 401.28424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)[O-])CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C17H17Cl2NO4S/c1-12-5-7-13(8-6-12)25(23,24)20(10-9-17(21)22)11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,21,22)/p-1