2-[5-azanyl-2-[[6,8-bis(2-hydroxyethylsulfonyl)naphthalen-2-yl]amino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[[6,8-bis(2-hydroxyethylsulfonyl)naphthalen-2-yl]amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[[6,8-bis(2-hydroxyethylsulfonyl)-2-naphthyl]amino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[[6,8-bis(2-hydroxyethylsulfonyl)-2-naphthalenyl]amino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[[6,8-bis(2-hydroxyethylsulfonyl)naphthalen-2-yl]amino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[[6,8-bis(2-hydroxyethylsulfonyl)-2-naphthyl]amino]phenyl]sulfonylethanesulfonic acid Formula: C22H26N2O11S4 MolecularWeight: 622.70864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCO)S(=O)(=O)CCO)NC3=C(C=C(C=C3)N)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCO)S(=O)(=O)CCO)NC3=C(C=C(C=C3)N)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C22H26N2O11S4/c23-16-2-4-20(22(12-16)38(31,32)9-10-39(33,34)35)24-17-3-1-15-11-18(36(27,28)7-5-25)14-21(19(15)13-17)37(29,30)8-6-26/h1-4,11-14,24-26H,5-10,23H2,(H,33,34,35)