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

Systemtic Name: 2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]methylamino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzyl]amino]besylic acid Formula: C16H19ClN2O5S2 MolecularWeight: 418.91546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=C(C=C2)S(=O)(=O)O)N)CS(=O)(=O)CCCl

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=C(C=C2)S(=O)(=O)O)N)CS(=O)(=O)CCCl

InChI

InChI=1S/C16H19ClN2O5S2/c17-7-8-25(20,21)11-13-3-1-12(2-4-13)10-19-14-5-6-16(15(18)9-14)26(22,23)24/h1-6,9,19H,7-8,10-11,18H2,(H,22,23,24)