2-azanyl-4-[4-(2-chloroethylsulfonyl)butanoylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[4-(2-chloroethylsulfonyl)butanoylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[4-(2-chloroethylsulfonyl)butanoylamino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(2-chloroethylsulfonyl)-1-oxobutyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[4-(2-chloroethylsulfonyl)butanoylamino]benzenesulfonic acid Traditional Name: 2-amino-4-[4-(2-chloroethylsulfonyl)butanoylamino]besylic acid Formula: C12H17ClN2O6S2 MolecularWeight: 384.85618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCS(=O)(=O)CCCl)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCS(=O)(=O)CCCl)N)S(=O)(=O)O

InChI

InChI=1S/C12H17ClN2O6S2/c13-5-7-22(17,18)6-1-2-12(16)15-9-3-4-11(10(14)8-9)23(19,20)21/h3-4,8H,1-2,5-7,14H2,(H,15,16)(H,19,20,21)