2-methyl-4-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-methyl-4-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]thiazole Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O2S2/c1-18-23-21(17-28-18)16-24-11-5-12-25(14-13-24)29(26,27)15-10-20-8-4-7-19-6-2-3-9-22(19)20/h2-4,6-9,17H,5,10-16H2,1H3