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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-17-21-19(15-27-17)14-22-9-5-10-23(12-11-22)20(24)16-28(25,26)13-8-18-6-3-2-4-7-18/h2-4,6-8,13,15H,5,9-12,14,16H2,1H3