4-[4-oxidanylidene-4-(phenethylamino)butyl]benzenesulfonic acid

Systemtic Name: 4-[4-oxidanylidene-4-(phenethylamino)butyl]benzenesulfonic acid Openeye Name: 4-[4-oxo-4-(phenethylamino)butyl]benzenesulfonic acid CAS Name: 4-[4-oxo-4-(phenethylamino)butyl]benzenesulfonic acid IUPAC Name: 4-[4-oxo-4-(phenethylamino)butyl]benzenesulfonic acid Traditional Name: 4-[4-keto-4-(phenethylamino)butyl]besylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H21NO4S/c20-18(19-14-13-15-5-2-1-3-6-15)8-4-7-16-9-11-17(12-10-16)24(21,22)23/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,19,20)(H,21,22,23)