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

Systemtic Name: 2-[2-[[3-(2-hydroxyethylsulfonyl)-4-methoxy-phenyl]amino]-5-nitro-phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[2-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-5-nitro-phenyl]sulfonylethanesulfonic acid CAS Name: 2-[2-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-5-nitrophenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[2-[3-(2-hydroxyethylsulfonyl)-4-methoxyanilino]-5-nitrophenyl]sulfonylethanesulfonic acid Traditional Name: 2-[2-[3-(2-hydroxyethylsulfonyl)-4-methoxy-anilino]-5-nitro-phenyl]sulfonylethanesulfonic acid Formula: C17H20N2O11S3 MolecularWeight: 524.5425

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])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+](=O)[O-])S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)CCO

InChI

InChI=1S/C17H20N2O11S3/c1-30-15-5-2-12(10-17(15)31(23,24)7-6-20)18-14-4-3-13(19(21)22)11-16(14)32(25,26)8-9-33(27,28)29/h2-5,10-11,18,20H,6-9H2,1H3,(H,27,28,29)