5-[2-azanyl-5-(2-hydroxyethyloxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(2-hydroxyethyloxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(2-hydroxyethoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[2-hydroxyethoxy(oxo)methyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(2-hydroxyethoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(2-hydroxyethoxycarbonylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C16H18N2O8S2 MolecularWeight: 430.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OCCO)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OCCO)N)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O8S2/c1-10-2-4-12(9-14(10)28(23,24)25)27(21,22)15-8-11(3-5-13(15)17)18-16(20)26-7-6-19/h2-5,8-9,19H,6-7,17H2,1H3,(H,18,20)(H,23,24,25)