1-azanyl-4-[[4-(phenylcarbonyl)phenyl]methoxy]butane-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-(phenylcarbonyl)phenyl]methoxy]butane-2-sulfonic acid Openeye Name: 1-amino-4-[(4-benzoylphenyl)methoxy]butane-2-sulfonic acid CAS Name: 1-amino-4-[(4-benzoylphenyl)methoxy]-2-butanesulfonic acid IUPAC Name: 1-amino-4-[(4-benzoylphenyl)methoxy]butane-2-sulfonic acid Traditional Name: 1-amino-4-(4-benzoylbenzyl)oxy-butane-2-sulfonic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COCCC(CN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COCCC(CN)S(=O)(=O)O

InChI

InChI=1S/C18H21NO5S/c19-12-17(25(21,22)23)10-11-24-13-14-6-8-16(9-7-14)18(20)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2,(H,21,22,23)