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

Systemtic Name: 2-[5-azanyl-2-[[3-(2-hydroxyethylsulfonyl)phenyl]amino]phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]phenyl]sulfonylethanesulfonic acid CAS Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]phenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]phenyl]sulfonylethanesulfonic acid Traditional Name: 2-[5-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]phenyl]sulfonylethanesulfonic acid Formula: C16H20N2O8S3 MolecularWeight: 464.5336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O8S3/c17-12-4-5-15(16(10-12)28(22,23)8-9-29(24,25)26)18-13-2-1-3-14(11-13)27(20,21)7-6-19/h1-5,10-11,18-19H,6-9,17H2,(H,24,25,26)