4-[(3-cyano-5-methyl-4-naphthalen-2-yl-thiophen-2-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(3-cyano-5-methyl-4-naphthalen-2-yl-thiophen-2-yl)amino]benzenesulfonic acid Openeye Name: 4-[[3-cyano-5-methyl-4-(2-naphthyl)-2-thienyl]amino]benzenesulfonic acid CAS Name: 4-[[3-cyano-5-methyl-4-(2-naphthalenyl)-2-thiophenyl]amino]benzenesulfonic acid IUPAC Name: 4-[(3-cyano-5-methyl-4-naphthalen-2-ylthiophen-2-yl)amino]benzenesulfonic acid Traditional Name: 4-[[3-cyano-5-methyl-4-(2-naphthyl)-2-thienyl]amino]besylic acid Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H16N2O3S2/c1-14-21(17-7-6-15-4-2-3-5-16(15)12-17)20(13-23)22(28-14)24-18-8-10-19(11-9-18)29(25,26)27/h2-12,24H,1H3,(H,25,26,27)