4-[[4-[2-chloroethylsulfonyl(methyl)amino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[4-[2-chloroethylsulfonyl(methyl)amino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[4-[2-chloroethylsulfonyl(methyl)amino]benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[[4-[2-chloroethylsulfonyl(methyl)amino]phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[4-[2-chloroethylsulfonyl(methyl)amino]benzoyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[4-[2-chloroethylsulfonyl(methyl)amino]benzoyl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C20H19ClN2O10S3 MolecularWeight: 579.02026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)S(=O)(=O)CCCl

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)S(=O)(=O)CCCl

InChI

InChI=1S/C20H19ClN2O10S3/c1-23(34(26,27)7-6-21)14-4-2-12(3-5-14)20(25)22-17-10-15(35(28,29)30)8-13-9-16(36(31,32)33)11-18(24)19(13)17/h2-5,8-11,24H,6-7H2,1H3,(H,22,25)(H,28,29,30)(H,31,32,33)