3-azanyl-7-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-1,5-disulfonic acid

Systemtic Name: 3-azanyl-7-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-1,5-disulfonic acid Openeye Name: 3-amino-7-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-1,5-disulfonic acid CAS Name: 3-amino-7-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-4-hydroxynaphthalene-1,5-disulfonic acid IUPAC Name: 3-amino-7-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxynaphthalene-1,5-disulfonic acid Traditional Name: 3-amino-7-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]-4-hydroxy-naphthalene-1,5-disulfonic acid Formula: C20H19ClN2O10S3 MolecularWeight: 579.02026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C3C(=C2)C(=CC(=C3O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C3C(=C2)C(=CC(=C3O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H19ClN2O10S3/c21-5-6-34(26,27)10-11-1-3-12(4-2-11)20(25)23-13-7-14-16(35(28,29)30)9-15(22)19(24)18(14)17(8-13)36(31,32)33/h1-4,7-9,24H,5-6,10,22H2,(H,23,25)(H,28,29,30)(H,31,32,33)