sodium [[4-[4-(hexanoylamino)phenyl]sulfonylphenyl]amino]methanesulfonic acid

Systemtic Name: sodium [[4-[4-(hexanoylamino)phenyl]sulfonylphenyl]amino]methanesulfonic acid Openeye Name: sodium [4-[4-(hexanoylamino)phenyl]sulfonylanilino]methanesulfonic acid CAS Name: sodium [4-[4-(1-oxohexylamino)phenyl]sulfonylanilino]methanesulfonic acid IUPAC Name: sodium [4-[4-(hexanoylamino)phenyl]sulfonylanilino]methanesulfonic acid Traditional Name: sodium [4-[4-(caproylamino)phenyl]sulfonylanilino]methanesulfonic acid Formula: C19H24N2NaO6S2+ MolecularWeight: 463.52343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H24N2O6S2.Na/c1-2-3-4-5-19(22)21-16-8-12-18(13-9-16)29(26,27)17-10-6-15(7-11-17)20-14-28(23,24)25;/h6-13,20H,2-5,14H2,1H3,(H,21,22)(H,23,24,25);/q;+1