N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-thiophen-2-yl-cyclopentane-1-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-(2-thienyl)cyclopentanecarboxamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CS2)C(=O)NC3=CC4=C(CCN(C4)S(=O)(=O)C5=CC=CC=C5)C=C3

Isomeric SMILES

C1CCC(C1)(C2=CC=CS2)C(=O)NC3=CC4=C(CCN(C4)S(=O)(=O)C5=CC=CC=C5)C=C3

InChI

InChI=1S/C25H26N2O3S2/c28-24(25(13-4-5-14-25)23-9-6-16-31-23)26-21-11-10-19-12-15-27(18-20(19)17-21)32(29,30)22-7-2-1-3-8-22/h1-3,6-11,16-17H,4-5,12-15,18H2,(H,26,28)