(2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-acetamido-2-oxo-chromen-6-yl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-acetamido-2-keto-chromen-6-yl)sulfonylamino]-3-phenyl-propionic acid Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O)OC1=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC1=O

InChI

InChI=1S/C20H18N2O7S/c1-12(23)21-17-11-14-10-15(7-8-18(14)29-20(17)26)30(27,28)22-16(19(24)25)9-13-5-3-2-4-6-13/h2-8,10-11,16,22H,9H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1