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

Systemtic Name: 2-[5-azanyl-2-[[3-(2-hydroxyethylsulfonyl)-4-methyl-phenyl]amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methyl-anilino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methylanilino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methylanilino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)-4-methyl-anilino]phenyl]sulfonylethanesulfonic acid Formula: C17H22N2O8S3 MolecularWeight: 478.56018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C17H22N2O8S3/c1-12-2-4-14(11-16(12)28(21,22)7-6-20)19-15-5-3-13(18)10-17(15)29(23,24)8-9-30(25,26)27/h2-5,10-11,19-20H,6-9,18H2,1H3,(H,25,26,27)