2-(1-cyclopentyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(1-cyclopentyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-cyclopentyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(1-cyclopentyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-cyclopentyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C(=N2)C3=CC=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(C1)N2C=C(C(=N2)C3=CC=CS3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H23N3O2S2/c25-28(26,23-12-11-16-6-1-2-7-17(16)14-23)20-15-24(18-8-3-4-9-18)22-21(20)19-10-5-13-27-19/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12,14H2