2-[(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[[3-amino-4-(2-naphthylsulfonyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[[3-amino-4-(2-naphthalenylsulfonyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[(3-amino-4-naphthalen-2-ylsulfonylphenyl)sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[[3-amino-4-(2-naphthylsulfonyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Formula: C19H20N2O7S3 MolecularWeight: 484.5663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C19H20N2O7S3/c1-21(10-11-29(22,23)24)31(27,28)17-8-9-19(18(20)13-17)30(25,26)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12-13H,10-11,20H2,1H3,(H,22,23,24)