2-azanyl-5-[4-(3-ethenylsulfonylpropyl)piperazin-1-yl]carbonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[4-(3-ethenylsulfonylpropyl)piperazin-1-yl]carbonyl-benzenesulfonic acid Openeye Name: 2-amino-5-[4-(3-vinylsulfonylpropyl)piperazine-1-carbonyl]benzenesulfonic acid CAS Name: 2-amino-5-[[4-(3-ethenylsulfonylpropyl)-1-piperazinyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[4-(3-ethenylsulfonylpropyl)piperazine-1-carbonyl]benzenesulfonic acid Traditional Name: 2-amino-5-[4-(3-vinylsulfonylpropyl)piperazine-1-carbonyl]besylic acid Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C16H23N3O6S2/c1-2-26(21,22)11-3-6-18-7-9-19(10-8-18)16(20)13-4-5-14(17)15(12-13)27(23,24)25/h2,4-5,12H,1,3,6-11,17H2,(H,23,24,25)