2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)ethanoic acid; but-2-ynoxybenzene

Systemtic Name: 2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)ethanoic acid; but-2-ynoxybenzene Openeye Name: 2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)acetic acid; but-2-ynoxybenzene CAS Name: 2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)acetic acid; but-2-ynoxybenzene IUPAC Name: 2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)acetic acid; but-2-ynoxybenzene Traditional Name: 2-(2-acetamidoethoxy)-2-phenyl-2-(sulfonylamino)acetic acid; but-2-ynoxybenzene Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(=O)NCCOC(C1=CC=CC=C1)(C(=O)O)N=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(=O)NCCOC(C1=CC=CC=C1)(C(=O)O)N=S(=O)=O

InChI

InChI=1S/C12H14N2O6S.C10H10O/c1-9(15)13-7-8-20-12(11(16)17,14-21(18)19)10-5-3-2-4-6-10;1-2-3-9-11-10-7-5-4-6-8-10/h2-6H,7-8H2,1H3,(H,13,15)(H,16,17);4-8H,9H2,1H3