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

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-19-7-5-10-21(23-19)17-24-12-6-13-25(15-14-24)22(26)18-29(27,28)16-11-20-8-3-2-4-9-20/h2-5,7-11,16H,6,12-15,17-18H2,1H3