2-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]thiazole CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole Traditional Name: 2-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]thiazole Formula: C16H21N3O2S2 MolecularWeight: 351.48684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C16H21N3O2S2/c20-23(21,14-15-5-2-1-3-6-15)19-9-4-8-18(10-11-19)13-16-17-7-12-22-16/h1-3,5-7,12H,4,8-11,13-14H2