3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(2-thienylmethyl)pyrazol-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(2-thenyl)pyrazol-3-yl]benzamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O4S2/c1-30-19-9-8-17(15-20(19)32(28,29)25-12-4-2-3-5-13-25)22(27)24-21-10-11-23-26(21)16-18-7-6-14-31-18/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,24,27)