1-[4-(4-aminophenyl)sulfonyl-6-bromanyl-pyridin-2-yl]-N',N'-diethyl-propane-1,3-diamine

Systemtic Name: 1-[4-(4-aminophenyl)sulfonyl-6-bromanyl-pyridin-2-yl]-N',N'-diethyl-propane-1,3-diamine Openeye Name: 1-[4-(4-aminophenyl)sulfonyl-6-bromo-2-pyridyl]-N',N'-diethyl-propane-1,3-diamine CAS Name: 1-[4-(4-aminophenyl)sulfonyl-6-bromo-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine IUPAC Name: 1-[4-(4-aminophenyl)sulfonyl-6-bromopyridin-2-yl]-N',N'-diethylpropane-1,3-diamine Traditional Name: [3-amino-3-(6-bromo-4-sulfanilyl-2-pyridyl)propyl]-diethyl-amine Formula: C18H25BrN4O2S MolecularWeight: 441.3857

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=NC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)N)Br)N

Isomeric SMILES

CCN(CC)CCC(C1=NC(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)N)Br)N

InChI

InChI=1S/C18H25BrN4O2S/c1-3-23(4-2)10-9-16(21)17-11-15(12-18(19)22-17)26(24,25)14-7-5-13(20)6-8-14/h5-8,11-12,16H,3-4,9-10,20-21H2,1-2H3