2-azanyl-4-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[[3-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]besylic acid Formula: C16H17ClN2O6S2 MolecularWeight: 432.89898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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