2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-(3-methylbenzothiophen-2-yl)ethanone Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H28N2O3S2/c1-18-21-6-3-4-7-22(21)30-23(18)16-24(27)26-13-5-12-25(14-15-26)17-19-8-10-20(11-9-19)31(2,28)29/h3-4,6-11H,5,12-17H2,1-2H3