2-[5-azanyl-2-[[4-(2-hydroxyethylsulfonyl)phenyl]-methyl-amino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[[4-(2-hydroxyethylsulfonyl)phenyl]-methyl-amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[4-(2-hydroxyethylsulfonyl)-N-methyl-anilino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[4-(2-hydroxyethylsulfonyl)-N-methylanilino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[4-(2-hydroxyethylsulfonyl)-N-methylanilino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[4-(2-hydroxyethylsulfonyl)-N-methyl-anilino]phenyl]sulfonylethanesulfonic acid Formula: C17H22N2O8S3 MolecularWeight: 478.56018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)S(=O)(=O)CCO)C2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)S(=O)(=O)CCO)C2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O

InChI

InChI=1S/C17H22N2O8S3/c1-19(14-3-5-15(6-4-14)28(21,22)9-8-20)16-7-2-13(18)12-17(16)29(23,24)10-11-30(25,26)27/h2-7,12,20H,8-11,18H2,1H3,(H,25,26,27)