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

Systemtic Name: 2-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]thiazole CAS Name: 2-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]thiazole Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S2/c21-24(22,14-7-16-5-2-1-3-6-16)20-10-4-9-19(11-12-20)15-17-18-8-13-23-17/h1-3,5-8,13-14H,4,9-12,15H2