1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-besyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-7-5-8-18(21-17)15-22-11-6-12-23(14-13-22)20(24)16-27(25,26)19-9-3-2-4-10-19/h2-5,7-10H,6,11-16H2,1H3