2-[5-azanyl-2-[[3-(2-hydroxyethylsulfonyl)-4-methoxy-phenyl]amino]phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[5-azanyl-2-[[3-(2-hydroxyethylsulfonyl)-4-methoxy-phenyl]amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]phenyl]sulfonylethanesulfonic acid Formula: C17H22N2O9S3 MolecularWeight: 494.55958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

InChI

InChI=1S/C17H22N2O9S3/c1-28-15-5-3-13(11-17(15)29(21,22)7-6-20)19-14-4-2-12(18)10-16(14)30(23,24)8-9-31(25,26)27/h2-5,10-11,19-20H,6-9,18H2,1H3,(H,25,26,27)