[(cyano-phenyl-thiophen-2-yl-methyl)amino] benzenesulfonate

Systemtic Name: [(cyano-phenyl-thiophen-2-yl-methyl)amino] benzenesulfonate Openeye Name: [[cyano-phenyl-(2-thienyl)methyl]amino] benzenesulfonate CAS Name: benzenesulfonic acid [(cyano-phenyl-thiophen-2-ylmethyl)amino] ester IUPAC Name: [(cyano-phenyl-thiophen-2-ylmethyl)amino] benzenesulfonate Traditional Name: benzenesulfonic acid [[cyano-phenyl-(2-thienyl)methyl]amino] ester Formula: C18H14N2O3S2 MolecularWeight: 370.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)(C2=CC=CS2)NOS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)(C2=CC=CS2)NOS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O3S2/c19-14-18(17-12-7-13-24-17,15-8-3-1-4-9-15)20-23-25(21,22)16-10-5-2-6-11-16/h1-13,20H