2-[[5-(carboxyamino)-2-naphthalen-2-ylsulfonyl-phenyl]-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[5-(carboxyamino)-2-naphthalen-2-ylsulfonyl-phenyl]-methyl-amino]ethanesulfonic acid Openeye Name: 2-[5-(carboxyamino)-N-methyl-2-(2-naphthylsulfonyl)anilino]ethanesulfonic acid CAS Name: 2-[5-(carboxyamino)-N-methyl-2-(2-naphthalenylsulfonyl)anilino]ethanesulfonic acid IUPAC Name: 2-[5-(carboxyamino)-N-methyl-2-naphthalen-2-ylsulfonylanilino]ethanesulfonic acid Traditional Name: 2-[5-(carboxyamino)-N-methyl-2-(2-naphthylsulfonyl)anilino]ethanesulfonic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S2/c1-22(10-11-30(25,26)27)18-13-16(21-20(23)24)7-9-19(18)31(28,29)17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13,21H,10-11H2,1H3,(H,23,24)(H,25,26,27)