2-azanyl-4-[[4-(2-chloroethylsulfonyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-chloroethylsulfonyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(2-chloroethylsulfonyl)benzoyl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[[4-(2-chloroethylsulfonyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-chloroethylsulfonyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(2-chloroethylsulfonyl)benzoyl]amino]besylic acid Formula: C15H15ClN2O6S2 MolecularWeight: 418.8724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N)S(=O)(=O)CCCl

InChI

InChI=1S/C15H15ClN2O6S2/c16-7-8-25(20,21)12-4-1-10(2-5-12)15(19)18-11-3-6-14(13(17)9-11)26(22,23)24/h1-6,9H,7-8,17H2,(H,18,19)(H,22,23,24)