2-azanyl-4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]benzenesulfonic acid CAS Name: 2-amino-4-[[[3-(2-chloroethylsulfonyl)anilino]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]benzenesulfonic acid Traditional Name: 2-amino-4-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]besylic acid Formula: C15H16ClN3O6S2 MolecularWeight: 433.88704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O6S2/c16-6-7-26(21,22)12-3-1-2-10(8-12)18-15(20)19-11-4-5-14(13(17)9-11)27(23,24)25/h1-5,8-9H,6-7,17H2,(H2,18,19,20)(H,23,24,25)