6-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[2-(2-chloroethylsulfonyl)ethylamino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[2-(2-chloroethylsulfonyl)ethylcarbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C15H17ClN2O7S2 MolecularWeight: 436.88768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC(=O)NCCS(=O)(=O)CCCl

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC(=O)NCCS(=O)(=O)CCCl

InChI

InChI=1S/C15H17ClN2O7S2/c16-3-5-26(21,22)6-4-17-15(20)18-11-2-1-10-7-12(27(23,24)25)9-14(19)13(10)8-11/h1-2,7-9,19H,3-6H2,(H2,17,18,20)(H,23,24,25)