2-azanyl-4-[2-(2-ethenylsulfonylethylamino)ethylcarbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[2-(2-ethenylsulfonylethylamino)ethylcarbamoyl]benzenesulfonic acid Openeye Name: 2-amino-4-[2-(2-vinylsulfonylethylamino)ethylcarbamoyl]benzenesulfonic acid CAS Name: 2-amino-4-[[2-(2-ethenylsulfonylethylamino)ethylamino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-4-[2-(2-ethenylsulfonylethylamino)ethylcarbamoyl]benzenesulfonic acid Traditional Name: 2-amino-4-[2-(2-vinylsulfonylethylamino)ethylcarbamoyl]besylic acid Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCNCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

C=CS(=O)(=O)CCNCCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C13H19N3O6S2/c1-2-23(18,19)8-7-15-5-6-16-13(17)10-3-4-12(11(14)9-10)24(20,21)22/h2-4,9,15H,1,5-8,14H2,(H,16,17)(H,20,21,22)