2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C16H24ClN3O4S2 MolecularWeight: 421.96246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCCN1CCCCCC1=O)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(CC(=O)NCCCN1CCCCCC1=O)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H24ClN3O4S2/c1-19(26(23,24)16-8-7-13(17)25-16)12-14(21)18-9-5-11-20-10-4-2-3-6-15(20)22/h7-8H,2-6,9-12H2,1H3,(H,18,21)