[[4-(4-butoxyphenyl)sulfonylphenyl]amino]methanesulfonic acid

Systemtic Name: [[4-(4-butoxyphenyl)sulfonylphenyl]amino]methanesulfonic acid Openeye Name: [4-(4-butoxyphenyl)sulfonylanilino]methanesulfonic acid CAS Name: [4-(4-butoxyphenyl)sulfonylanilino]methanesulfonic acid IUPAC Name: [4-(4-butoxyphenyl)sulfonylanilino]methanesulfonic acid Traditional Name: [4-(4-butoxyphenyl)sulfonylanilino]methanesulfonic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)(=O)O

InChI

InChI=1S/C17H21NO6S2/c1-2-3-12-24-15-6-10-17(11-7-15)26(22,23)16-8-4-14(5-9-16)18-13-25(19,20)21/h4-11,18H,2-3,12-13H2,1H3,(H,19,20,21)