5-[5-(azepan-1-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-1,2-dimethyl-pyrrole-3-sulfonyl chloride

Systemtic Name: 5-[5-(azepan-1-ylcarbonyl)-4-methyl-1,3-thiazol-2-yl]-1,2-dimethyl-pyrrole-3-sulfonyl chloride Openeye Name: 5-[5-(azepane-1-carbonyl)-4-methyl-thiazol-2-yl]-1,2-dimethyl-pyrrole-3-sulfonyl chloride CAS Name: 5-[5-[1-azepanyl(oxo)methyl]-4-methyl-2-thiazolyl]-1,2-dimethyl-3-pyrrolesulfonyl chloride IUPAC Name: 5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-1,2-dimethylpyrrole-3-sulfonyl chloride Traditional Name: 5-[5-(azepane-1-carbonyl)-4-methyl-thiazol-2-yl]-1,2-dimethyl-pyrrole-3-sulfonyl chloride Formula: C17H22ClN3O3S2 MolecularWeight: 415.95788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(N2C)C)S(=O)(=O)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(N2C)C)S(=O)(=O)Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H22ClN3O3S2/c1-11-15(17(22)21-8-6-4-5-7-9-21)25-16(19-11)13-10-14(26(18,23)24)12(2)20(13)3/h10H,4-9H2,1-3H3