sodium 4-[4-[bis(2-ethenylsulfonylethanoylamino)methyl]phenoxy]butane-1-sulfonate

Systemtic Name: sodium 4-[4-[bis(2-ethenylsulfonylethanoylamino)methyl]phenoxy]butane-1-sulfonate Openeye Name: sodium 4-[4-[bis[(2-vinylsulfonylacetyl)amino]methyl]phenoxy]butane-1-sulfonate CAS Name: sodium 4-[4-[bis[(2-ethenylsulfonyl-1-oxoethyl)amino]methyl]phenoxy]-1-butanesulfonate IUPAC Name: sodium 4-[4-[bis[(2-ethenylsulfonylacetyl)amino]methyl]phenoxy]butane-1-sulfonate Traditional Name: sodium 4-[4-[bis[(2-vinylsulfonylacetyl)amino]methyl]phenoxy]butane-1-sulfonate Formula: C19H25N2NaO10S3 MolecularWeight: 560.59397

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CC(=O)NC(C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])NC(=O)CS(=O)(=O)C=C.[Na+]

Isomeric SMILES

C=CS(=O)(=O)CC(=O)NC(C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])NC(=O)CS(=O)(=O)C=C.[Na+]

InChI

InChI=1S/C19H26N2O10S3.Na/c1-3-32(24,25)13-17(22)20-19(21-18(23)14-33(26,27)4-2)15-7-9-16(10-8-15)31-11-5-6-12-34(28,29)30;/h3-4,7-10,19H,1-2,5-6,11-14H2,(H,20,22)(H,21,23)(H,28,29,30);/q;+1/p-1