5-(2-ethenylsulfonylethylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-(2-ethenylsulfonylethylcarbamoylamino)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-5-(2-vinylsulfonylethylcarbamoylamino)naphthalene-2-sulfonic acid CAS Name: 5-[[(2-ethenylsulfonylethylamino)-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-(2-ethenylsulfonylethylcarbamoylamino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-5-(2-vinylsulfonylethylcarbamoylamino)naphthalene-2-sulfonic acid Formula: C15H16N2O7S2 MolecularWeight: 400.42674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O7S2/c1-2-25(20,21)7-6-16-15(19)17-12-5-3-4-10-8-11(26(22,23)24)9-13(18)14(10)12/h2-5,8-9,18H,1,6-7H2,(H2,16,17,19)(H,22,23,24)