2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenyl-butanoic acid

Systemtic Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenyl-butanoic acid Openeye Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenyl-butanoic acid CAS Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenylbutanoic acid IUPAC Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenylbutanoic acid Traditional Name: 2-(9,9a-dihydro-4aH-xanthen-3-ylsulfonylamino)-4-phenyl-butyric acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(=CC2OC3=CC=CC=C31)S(=O)(=O)NC(CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2C=CC(=CC2OC3=CC=CC=C31)S(=O)(=O)NC(CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23NO5S/c25-23(26)20(13-10-16-6-2-1-3-7-16)24-30(27,28)19-12-11-18-14-17-8-4-5-9-21(17)29-22(18)15-19/h1-9,11-12,15,18,20,22,24H,10,13-14H2,(H,25,26)