2-azanyl-4-[(2-ethenylsulfonylethylamino)-ethyl-carbamoyl]benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=C(C=C1)S(=O)(=O)O)N)NCCS(=O)(=O)C=C

Isomeric SMILES

CCN(C(=O)C1=CC(=C(C=C1)S(=O)(=O)O)N)NCCS(=O)(=O)C=C

InChI

InChI=1S/C13H19N3O6S2/c1-3-16(15-7-8-23(18,19)4-2)13(17)10-5-6-12(11(14)9-10)24(20,21)22/h4-6,9,15H,2-3,7-8,14H2,1H3,(H,20,21,22)