N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H28N4O3S2/c1-20-13-14-21(18-25(20)36(33,34)30-15-7-2-3-8-16-30)28-27(32)23-19-31(22-10-5-4-6-11-22)29-26(23)24-12-9-17-35-24/h4-6,9-14,17-19H,2-3,7-8,15-16H2,1H3,(H,28,32)