2-azanyl-5-[4-(2-ethenylsulfonylethyl)piperazin-1-yl]carbonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[4-(2-ethenylsulfonylethyl)piperazin-1-yl]carbonyl-benzenesulfonic acid Openeye Name: 2-amino-5-[4-(2-vinylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonic acid CAS Name: 2-amino-5-[[4-(2-ethenylsulfonylethyl)-1-piperazinyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[4-(2-ethenylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonic acid Traditional Name: 2-amino-5-[4-(2-vinylsulfonylethyl)piperazine-1-carbonyl]besylic acid Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C15H21N3O6S2/c1-2-25(20,21)10-9-17-5-7-18(8-6-17)15(19)12-3-4-13(16)14(11-12)26(22,23)24/h2-4,11H,1,5-10,16H2,(H,22,23,24)