2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid; 6-oxidanylnaphthalene-2-sulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid; 6-oxidanylnaphthalene-2-sulfonic acid Openeye Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid; 6-hydroxynaphthalene-2-sulfonic acid CAS Name: 2-amino-4-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid; 6-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid; 6-hydroxynaphthalene-2-sulfonic acid Traditional Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]besylic acid; 6-hydroxynaphthalene-2-sulfonic acid Formula: C26H25ClN2O10S3 MolecularWeight: 657.1321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N.C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1O

InChI

InChI=1S/C16H17ClN2O6S2.C10H8O4S/c17-7-8-26(21,22)10-11-1-3-12(4-2-11)16(20)19-13-5-6-15(14(18)9-13)27(23,24)25;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6,9H,7-8,10,18H2,(H,19,20)(H,23,24,25);1-6,11H,(H,12,13,14)