2-[5-azanyl-2-[2-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]ethylamino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[2-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]ethylamino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[2-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]ethylamino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[2-[5-(2-hydroxyethylsulfonyl)-1-benzotriazolyl]ethylamino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[2-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]ethylamino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[2-[5-(2-hydroxyethylsulfonyl)benzotriazol-1-yl]ethylamino]phenyl]sulfonylethanesulfonic acid Formula: C18H23N5O8S3 MolecularWeight: 533.59892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCCN2C3=C(C=C(C=C3)S(=O)(=O)CCO)N=N2

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCS(=O)(=O)O)NCCN2C3=C(C=C(C=C3)S(=O)(=O)CCO)N=N2

InChI

InChI=1S/C18H23N5O8S3/c19-13-1-3-15(18(11-13)33(27,28)9-10-34(29,30)31)20-5-6-23-17-4-2-14(12-16(17)21-22-23)32(25,26)8-7-24/h1-4,11-12,20,24H,5-10,19H2,(H,29,30,31)