3-cyclopentyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

Systemtic Name: 3-cyclopentyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-cyclopentyl-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-cyclopentyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide IUPAC Name: 3-cyclopentyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Traditional Name: 3-cyclopentyl-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C21H26N2O3S2/c24-20(10-7-16-4-1-2-5-16)22-19-9-8-17-11-12-23(15-18(17)14-19)28(25,26)21-6-3-13-27-21/h3,6,8-9,13-14,16H,1-2,4-5,7,10-12,15H2,(H,22,24)