[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]-(3-methyl-1-piperidyl)methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]-(3-methylpiperidino)methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H24N2O3S2/c1-15-5-4-10-21(13-15)20(23)19-18(9-12-26-19)27(24,25)22-11-8-16-6-2-3-7-17(16)14-22/h2-3,6-7,9,12,15H,4-5,8,10-11,13-14H2,1H3