4-[8-(phenylmethyl)sulfinyloctylamino]benzoic acid

Systemtic Name: 4-[8-(phenylmethyl)sulfinyloctylamino]benzoic acid Openeye Name: 4-(8-benzylsulfinyloctylamino)benzoic acid CAS Name: 4-[8-(phenylmethyl)sulfinyloctylamino]benzoic acid IUPAC Name: 4-(8-benzylsulfinyloctylamino)benzoic acid Traditional Name: 4-(8-benzylsulfinyloctylamino)benzoic acid Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H29NO3S/c24-22(25)20-12-14-21(15-13-20)23-16-8-3-1-2-4-9-17-27(26)18-19-10-6-5-7-11-19/h5-7,10-15,23H,1-4,8-9,16-18H2,(H,24,25)