3-[4-[methylsulfonyl-[4-(1-oxidanylpentyl)phenyl]amino]butyl]benzenesulfonic acid

Systemtic Name: 3-[4-[methylsulfonyl-[4-(1-oxidanylpentyl)phenyl]amino]butyl]benzenesulfonic acid Openeye Name: 3-[4-[4-(1-hydroxypentyl)-N-methylsulfonyl-anilino]butyl]benzenesulfonic acid CAS Name: 3-[4-[4-(1-hydroxypentyl)-N-methylsulfonylanilino]butyl]benzenesulfonic acid IUPAC Name: 3-[4-[4-(1-hydroxypentyl)-N-methylsulfonylanilino]butyl]benzenesulfonic acid Traditional Name: 3-[4-[4-(1-hydroxypentyl)-N-mesyl-anilino]butyl]besylic acid Formula: C22H31NO6S2 MolecularWeight: 469.61464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)N(CCCCC2=CC(=CC=C2)S(=O)(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)N(CCCCC2=CC(=CC=C2)S(=O)(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C22H31NO6S2/c1-3-4-11-22(24)19-12-14-20(15-13-19)23(30(2,25)26)16-6-5-8-18-9-7-10-21(17-18)31(27,28)29/h7,9-10,12-15,17,22,24H,3-6,8,11,16H2,1-2H3,(H,27,28,29)