4-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarboximidamide

Systemtic Name: 4-[4-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarboximidamide Openeye Name: 4-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzamidine CAS Name: 4-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzenecarboximidamide IUPAC Name: 4-[4-(4-bromo-2-ethylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide Traditional Name: 4-[4-(4-bromo-2-ethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzamidine Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23BrN4O3S/c1-2-14-13-17(21)7-8-18(14)29(27,28)25-11-9-24(10-12-25)20(26)16-5-3-15(4-6-16)19(22)23/h3-8,13H,2,9-12H2,1H3,(H3,22,23)