6-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C20H18ClNO7S2 MolecularWeight: 483.94242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C20H18ClNO7S2/c21-7-8-30(25,26)12-13-1-3-14(4-2-13)20(24)22-16-6-5-15-9-17(31(27,28)29)11-19(23)18(15)10-16/h1-6,9-11,23H,7-8,12H2,(H,22,24)(H,27,28,29)