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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-besyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-15-19-16(13-25-15)12-20-8-5-9-21(11-10-20)18(22)14-26(23,24)17-6-3-2-4-7-17/h2-4,6-7,13H,5,8-12,14H2,1H3