5-[aminocarbonyl(3-ethenylsulfonylpropyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[aminocarbonyl(3-ethenylsulfonylpropyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[carbamoyl(3-vinylsulfonylpropyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[carbamoyl(3-ethenylsulfonylpropyl)amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[carbamoyl(3-ethenylsulfonylpropyl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[carbamoyl(3-vinylsulfonylpropyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCN(C1=CC=CC2=CC(=CC(=C21)O)S(=O)(=O)O)C(=O)N

Isomeric SMILES

C=CS(=O)(=O)CCCN(C1=CC=CC2=CC(=CC(=C21)O)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C16H18N2O7S2/c1-2-26(21,22)8-4-7-18(16(17)20)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,(H2,17,20)(H,23,24,25)