1-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropane-2-sulfonic acid

Systemtic Name: 1-[5-azanyl-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropane-2-sulfonic acid Openeye Name: 1-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropane-2-sulfonic acid CAS Name: 1-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonyl-2-propanesulfonic acid IUPAC Name: 1-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropane-2-sulfonic acid Traditional Name: 1-[5-amino-2-[2-[4-(2-hydroxyethylsulfonyl)phenyl]ethylamino]phenyl]sulfonylpropane-2-sulfonic acid Formula: C19H26N2O8S3 MolecularWeight: 506.61334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=C(C=CC(=C1)N)NCCC2=CC=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O

Isomeric SMILES

CC(CS(=O)(=O)C1=C(C=CC(=C1)N)NCCC2=CC=C(C=C2)S(=O)(=O)CCO)S(=O)(=O)O

InChI

InChI=1S/C19H26N2O8S3/c1-14(32(27,28)29)13-31(25,26)19-12-16(20)4-7-18(19)21-9-8-15-2-5-17(6-3-15)30(23,24)11-10-22/h2-7,12,14,21-22H,8-11,13,20H2,1H3,(H,27,28,29)