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

Systemtic Name: azepan-1-yl-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N2O3S2/c23-20(21-11-5-1-2-6-12-21)18-14-16-8-3-4-9-17(16)15-22(18)27(24,25)19-10-7-13-26-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14-15H2/t18-/m1/s1