azepan-1-yl-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

Systemtic Name: azepan-1-yl-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: azepan-1-yl-[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: azepan-1-yl-[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N2O3S/c29-26(27-15-7-1-2-8-16-27)25-18-22-11-5-6-12-23(22)19-28(25)32(30,31)24-14-13-20-9-3-4-10-21(20)17-24/h3-6,9-14,17,25H,1-2,7-8,15-16,18-19H2