sodium (1Z)-4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-thiophen-2-ylsulfonyl-benzenecarboximidate

Systemtic Name: sodium (1Z)-4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-N-thiophen-2-ylsulfonyl-benzenecarboximidate Openeye Name: sodium (1Z)-4-[3-(2-benzyloxy-5-bromo-phenyl)-2-thienyl]-N-(2-thienylsulfonyl)benzenecarboximidate CAS Name: sodium (1Z)-4-[3-(5-bromo-2-phenylmethoxyphenyl)-2-thiophenyl]-N-thiophen-2-ylsulfonylbenzenecarboximidate IUPAC Name: sodium (1Z)-4-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-N-thiophen-2-ylsulfonylbenzenecarboximidate Traditional Name: sodium (1Z)-4-[3-(2-benzoxy-5-bromo-phenyl)-2-thienyl]-N-(2-thienylsulfonyl)benzenecarboximidate Formula: C28H19BrNNaO4S3 MolecularWeight: 632.54353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(SC=C3)C4=CC=C(C=C4)C(=NS(=O)(=O)C5=CC=CS5)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(SC=C3)C4=CC=C(C=C4)/C(=N/S(=O)(=O)C5=CC=CS5)/[O-].[Na+]

InChI

InChI=1S/C28H20BrNO4S3.Na/c29-22-12-13-25(34-18-19-5-2-1-3-6-19)24(17-22)23-14-16-36-27(23)20-8-10-21(11-9-20)28(31)30-37(32,33)26-7-4-15-35-26;/h1-17H,18H2,(H,30,31);/q;+1/p-1