5-aminocarbonyl-2-azanyl-3,6-bis(2-ethenylsulfonylethyl)benzenesulfonic acid

Systemtic Name: 5-aminocarbonyl-2-azanyl-3,6-bis(2-ethenylsulfonylethyl)benzenesulfonic acid Openeye Name: 2-amino-5-carbamoyl-3,6-bis(2-vinylsulfonylethyl)benzenesulfonic acid CAS Name: 2-amino-5-carbamoyl-3,6-bis(2-ethenylsulfonylethyl)benzenesulfonic acid IUPAC Name: 2-amino-5-carbamoyl-3,6-bis(2-ethenylsulfonylethyl)benzenesulfonic acid Traditional Name: 2-amino-5-carbamoyl-3,6-bis(2-vinylsulfonylethyl)besylic acid Formula: C15H20N2O8S3 MolecularWeight: 452.5229

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCC1=C(C(=C(C(=C1)C(=O)N)CCS(=O)(=O)C=C)S(=O)(=O)O)N

Isomeric SMILES

C=CS(=O)(=O)CCC1=C(C(=C(C(=C1)C(=O)N)CCS(=O)(=O)C=C)S(=O)(=O)O)N

InChI

InChI=1S/C15H20N2O8S3/c1-3-26(19,20)7-5-10-9-12(15(17)18)11(6-8-27(21,22)4-2)14(13(10)16)28(23,24)25/h3-4,9H,1-2,5-8,16H2,(H2,17,18)(H,23,24,25)