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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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