2-azanyl-5-[(1-azanyl-4-ethenylsulfonyl-butan-2-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(1-azanyl-4-ethenylsulfonyl-butan-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[[1-(aminomethyl)-3-vinylsulfonyl-propyl]carbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[[(1-amino-4-ethenylsulfonylbutan-2-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(1-amino-4-ethenylsulfonylbutan-2-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[[1-(aminomethyl)-3-vinylsulfonyl-propyl]carbamoyl]besylic acid Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCC(CN)NC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

C=CS(=O)(=O)CCC(CN)NC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)O

InChI

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