3-(4-phenylbutylcarbamoyl)benzenesulfonic acid

Systemtic Name: 3-(4-phenylbutylcarbamoyl)benzenesulfonic acid Openeye Name: 3-(4-phenylbutylcarbamoyl)benzenesulfonic acid CAS Name: 3-[oxo-(4-phenylbutylamino)methyl]benzenesulfonic acid IUPAC Name: 3-(4-phenylbutylcarbamoyl)benzenesulfonic acid Traditional Name: 3-(4-phenylbutylcarbamoyl)besylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H19NO4S/c19-17(15-10-6-11-16(13-15)23(20,21)22)18-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,18,19)(H,20,21,22)