5-(3-ethenylsulfonylpropylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-(3-ethenylsulfonylpropylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-5-(3-vinylsulfonylpropylcarbamoylamino)naphthalene-2-sulfonic acid CAS Name: 5-[[(3-ethenylsulfonylpropylamino)-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-(3-ethenylsulfonylpropylcarbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-5-(3-vinylsulfonylpropylcarbamoylamino)naphthalene-2-sulfonic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCNC(=O)NC1=CC=CC2=CC(=CC(=C21)O)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCCNC(=O)NC1=CC=CC2=CC(=CC(=C21)O)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O7S2/c1-2-26(21,22)8-4-7-17-16(20)18-13-6-3-5-11-9-12(27(23,24)25)10-14(19)15(11)13/h2-3,5-6,9-10,19H,1,4,7-8H2,(H2,17,18,20)(H,23,24,25)