N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(5-bromanyl-2-methoxy-phenyl)-N-methyl-ethane-1,2-diamine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(5-bromanyl-2-methoxy-phenyl)-N-methyl-ethane-1,2-diamine Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-ethane-1,2-diamine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-(1,1-dioxo-3-thiolanyl)-N-methylethane-1,2-diamine IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine Traditional Name: [2-amino-1-(5-bromo-2-methoxy-phenyl)ethyl]-(1,1-diketothiolan-3-yl)-methyl-amine Formula: C14H21BrN2O3S MolecularWeight: 377.29714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(CN)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(CN)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C14H21BrN2O3S/c1-17(11-5-6-21(18,19)9-11)13(8-16)12-7-10(15)3-4-14(12)20-2/h3-4,7,11,13H,5-6,8-9,16H2,1-2H3