[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [2-(5-chloranylthiophen-2-yl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [2-(5-chloro-2-thienyl)-4-quinolyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [2-(5-chloro-2-thiophenyl)-4-quinolinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [2-(5-chloro-2-thienyl)-4-quinolyl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-29(26,27)24-10-4-9-23(11-12-24)20(25)15-13-17(18-7-8-19(21)28-18)22-16-6-3-2-5-14(15)16/h2-3,5-8,13H,4,9-12H2,1H3