azepan-1-yl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]methanone Openeye Name: azepan-1-yl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thienyl]methanone CAS Name: 1-azepanyl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thiophenyl]methanone IUPAC Name: azepan-1-yl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-3-yl]methanone Traditional Name: azepan-1-yl-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-thienyl]methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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