N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]-N-methyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]-N-methyl-ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]-N-(1,1-dioxothiolan-3-yl)-N-methyl-acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]-N-(1,1-dioxo-3-thiolanyl)-N-methylacetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]-N-(1,1-diketothiolan-3-yl)-N-methyl-acetamide Formula: C14H18ClN3O7S2 MolecularWeight: 439.89162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O7S2/c1-16(8-14(19)17(2)10-5-6-26(22,23)9-10)27(24,25)11-3-4-12(15)13(7-11)18(20)21/h3-4,7,10H,5-6,8-9H2,1-2H3