2-[2-chloranylethanoyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-chloranylethanoyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-chloroacetyl)-(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-chloroacetyl)-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(2-chloroacetyl)-tosyl-amino]-3-phenyl-propionic acid Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)CCl

InChI

InChI=1S/C18H18ClNO5S/c1-13-7-9-15(10-8-13)26(24,25)20(17(21)12-19)16(18(22)23)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,22,23)